SCHEMBL8245692

SCHEMBL8245692

COc1cccc(CNC(N)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MMP13 P45452 3/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HPGD P15428 3/20 0.64
KDM4E B2RXH2 1/20 0.64
USP2 O75604 1/20 0.64
POLB P06746 2/20 0.62
EPHX2 P34913 2/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
APEX1 P27695 1/20 0.59
RAB9A P51151 1/20 0.58

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
SCHEMBL30104666 1.00 ALDH1A1 (0.68) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL8642114 0.91 ALDH1A1 (0.58) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL4461230 0.88 ALDH1A1 (0.65) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL3815151 0.87 ALDH1A1 (0.72) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL17397649 0.86 EPHX2 (0.79) ALDH1A1HTTSMN1; SMN2HPGDPOLB
SCHEMBL2931410 0.85 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL660541 0.85 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL23771131 0.84 ALDH1A1 (0.65) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL21254127 0.84 ALDH1A1 (0.74) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL875811 0.84 MTNR1A (0.63) ALDH1A1HTTSMN1; SMN2POLBRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
US-8258159-B2 Inhibitors of the α2β1/GPIa-IIa integrin THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-09-04 US disclosed
US-8258159-B2 Inhibitors of the α2β1/GPIa-IIa integrin THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-09-04 US disclosed
CN-1854128-B Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY 2012-05-16 CN disclosed
CN-102271678-A 2-acylaminopropanol type glucosylceramide synthase inhibitors 2011-12-07 CN disclosed
EP-2132194-B1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS RHO-KINASE INHIBITORS SANOFI AVENTIS (FR) 2011-03-16 EP disclosed
CN-101888840-A method of treating polycystic kidney disease using brain amide derivatives GENZYME CORP 2010-11-17 CN disclosed
US-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US disclosed
US-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US disclosed
WO-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 WO disclosed
CN-1478084-A Compounds useful in treatment of inflammatory diseases 2004-02-25 CN 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 (1 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-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN ITGA2B, ITGB2, ITGA2 ALDH1A1 538/4885MMP13 1640/4885HTT 4781/4885

“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.