SCHEMBL221575

SCHEMBL221575

Nc1nonc1-c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
RPS6KB1 P23443 5/20 0.36
GSK3B P49841 4/20 0.36
RPS6KA5 O75582 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL658209 0.78 MEN1 (0.44) RECQLSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL225976 0.77 SMN1; SMN2 (0.37) RECQLSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL711813 0.77 MEN1 (0.52) SMN1; SMN2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL1457676 0.75 MAPT (0.46) RECQLSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL14161834 0.75 RECQL (0.38) RECQLSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL28366110 0.71 RECQL (0.54) RECQLSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL7615873 0.67 CYP2A6 (0.50) SMN1; SMN2ALDH1A1HPGDRPS6KA5MEN1
SCHEMBL3868087 0.65 ALDH1A1 (0.56) SMN1; SMN2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL12020730 0.64 RECQL (0.36) RECQLSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL10586653 0.63 MTOR (0.71) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604218-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
US-8410147-B2 Method for treating diseases associated with alterations in cellular integrity using Rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2013-04-02 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-20090325960-A1 METHOD FOR TREATING INFLAMMATORY 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
US-20090325905-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY 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
CN-101583361-A Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC (US) 2009-11-18 CN 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 (9 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-20090325960-A1 METHOD FOR TREATING INFLAMMATORY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA RECQL 2479/4885SMN1; SMN2 4505/4885NPSR1 3399/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 RECQL 808/4885SMN1; SMN2 1664/4885NPSR1 4132/4885
US-20130158014-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOT2 RECQL 2853/4885SMN1; SMN2 2528/4885NPSR1 4330/4885
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA RECQL 3832/4885SMN1; SMN2 2433/4885NPSR1 758/4885
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 RECQL 1930/4885SMN1; SMN2 3093/4885NPSR1 2942/4885
US-20090325905-A1 METHOD FOR TREATING DISEASES ASSOCIATED WITH ALTERATIONS IN CELLULAR INTEGRITY USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOT2 RECQL 2853/4885SMN1; SMN2 2528/4885NPSR1 4330/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 RECQL 808/4885SMN1; SMN2 1664/4885NPSR1 4132/4885
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA RECQL 4394/4885SMN1; SMN2 74/4885NPSR1 649/4885
US-20130005756-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 RECQL 1930/4885SMN1; SMN2 3093/4885NPSR1 2942/4885

“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.