SCHEMBL1913610

SCHEMBL1913610

Nc1ccc(Cl)cc1C(=O)NCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK14 Q16539 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.51
NAMPT P43490 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GCK P35557 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.48

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
SCHEMBL13964458 0.83 SMN1; SMN2 (0.75) HTTCYP3A4MAPK14SMN1; SMN2MAPK1
SCHEMBL7655088 0.80 TP53 (0.55) SMN1; SMN2CA1CA2HPGDLMNA
SCHEMBL18150638 0.78 HTT (0.53) HTTCYP3A4MAPK14SMN1; SMN2MAPK1
SCHEMBL13392348 0.78 CCR2 (0.55) HTTCYP3A4CA1CA2HPGD
SCHEMBL13744864 0.77 HSD17B10 (0.54) HTTCYP3A4MAPK14SMN1; SMN2MAPK1
SCHEMBL17241662 0.77 HPGD (0.62) CYP3A4CA1CA2HPGDLMNA
SCHEMBL11689255 0.76 NOS2 (0.63) CYP3A4POLBHPGDLMNACYP1A2
SCHEMBL3843872 0.76 HPGD (0.64) CYP3A4CA1CA2HPGDLMNA
SCHEMBL8301468 0.75 POLB (0.51) CYP3A4SMN1; SMN2NAMPTCA1CA2
SCHEMBL1095186 0.75 ALDH1A1 (0.70) CYP3A4SMN1; SMN2LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP disclosed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US disclosed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10117868-B2 Systems pharmacology for treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-06 US disclosed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP disclosed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 HTT 1028/4885CYP3A4 4631/4885MAPK14 1766/4885
US-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B HTT 1516/4885CYP3A4 1389/4885MAPK14 2164/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 HTT 3317/4885CYP3A4 4809/4885MAPK14 1720/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 HTT 3317/4885CYP3A4 4809/4885MAPK14 1720/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B HTT 1516/4885CYP3A4 1389/4885MAPK14 2164/4885
US-10117868-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B HTT 1516/4885CYP3A4 1389/4885MAPK14 2164/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT HTT 543/4885CYP3A4 2194/4885MAPK14 4720/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 HTT 1028/4885CYP3A4 4631/4885MAPK14 1766/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT HTT 543/4885CYP3A4 2194/4885MAPK14 4720/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT HTT 543/4885CYP3A4 2194/4885MAPK14 4720/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 HTT 3317/4885CYP3A4 4809/4885MAPK14 1720/4885

“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.