SCHEMBL225976

SCHEMBL225976

Nc1nonc1-c1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RPS6KB1 P23443 6/20 0.36
GSK3B P49841 4/20 0.36
PRKACA P17612 3/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ROCK1 Q13464 4/20 0.34
RPS6KA5 O75582 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL221575 0.77 RECQL (0.38) SMN1; SMN2ALDH1A1HPGDNPSR1RPS6KB1
SCHEMBL543895 0.77 LMNA (0.54) SMN1; SMN2ALDH1A1HPGDNPSR1RPS6KB1
SCHEMBL28065527 0.70 KDM4E (0.47) SMN1; SMN2ALDH1A1HPGDNPSR1TSHR
SCHEMBL7615873 0.69 CYP2A6 (0.50) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL658209 0.69 MEN1 (0.44) SMN1; SMN2ALDH1A1HPGDNPSR1RPS6KB1
SCHEMBL610112 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3131206 0.67 PTGS1 (0.43) LMNAMAPTCA12CA1CA2
SCHEMBL28366110 0.66 RECQL (0.54) SMN1; SMN2ALDH1A1HPGDNPSR1RPS6KB1
SCHEMBL1457676 0.66 MAPT (0.46) SMN1; SMN2NPSR1PRKACATSHRKDM4E
SCHEMBL14161834 0.66 RECQL (0.38) SMN1; SMN2ALDH1A1HPGDNPSR1RPS6KB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
US-20130158014-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
CN-101583361-B Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC 2013-01-23 CN disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20130005756-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS NAVRATIL TOMAS (US) 2013-01-03 US disclosed
US-8299096-B2 Method for treating pulmonary diseases using rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-8207195-B2 Method for treating neurological and neuropathic diseases using rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
US-20100008968-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-14 US disclosed
US-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
WO-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2009155209-A1 OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
EP-2099457-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100008968-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA SMN1; SMN2 2433/4885ALDH1A1 4587/4885HPGD 1174/4885
US-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA SMN1; SMN2 4505/4885ALDH1A1 3973/4885HPGD 898/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 SMN1; SMN2 1664/4885ALDH1A1 3372/4885HPGD 1109/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 SMN1; SMN2 1664/4885ALDH1A1 3372/4885HPGD 1109/4885
US-20130158014-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOT2 SMN1; SMN2 2528/4885ALDH1A1 3182/4885HPGD 1918/4885
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA SMN1; SMN2 2433/4885ALDH1A1 4587/4885HPGD 1174/4885
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 SMN1; SMN2 3093/4885ALDH1A1 3745/4885HPGD 2508/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 SMN1; SMN2 1664/4885ALDH1A1 3372/4885HPGD 1109/4885
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA SMN1; SMN2 74/4885ALDH1A1 4447/4885HPGD 3052/4885
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK2, ROCK1, CIT SMN1; SMN2 1638/4885ALDH1A1 4070/4885HPGD 1918/4885
US-20130005756-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 SMN1; SMN2 3093/4885ALDH1A1 3745/4885HPGD 2508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.