SCHEMBL4334503

SCHEMBL4334503

O=C(O)c1ccc2[nH]c(-c3ccncc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
F2 P00734 2/20 0.51
MAPK14 Q16539 3/20 0.50
GCGR P47871 1/20 0.50
NAMPT P43490 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CHEK2 O96017 1/20 0.47
PPARG P37231 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MAPK13 O15264 1/20 0.44
ALOX5 P09917 1/20 0.44
TGFBR1 P36897 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44

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
SCHEMBL979496 0.86 CASP3 (0.77) CASP3SENP8SENP7SENP6F2
SCHEMBL29784265 0.86 CASP3 (0.77) CASP3SENP8SENP7SENP6F2
SCHEMBL28947459 0.83 HDAC6 (0.46) F2MAPK14GCGRNAMPTHDAC6
SCHEMBL11565448 0.82 CHEK2 (0.67) CASP3SENP8SENP7SENP6F2
SCHEMBL164956 0.82 CASP3 (0.57) CASP3SENP8SENP7SENP6F2
SCHEMBL693160 0.82 F2 (0.58) CASP3SENP8SENP7SENP6F2
SCHEMBL11563588 0.82 CASP3 (0.57) CASP3SENP8SENP7SENP6F2
SCHEMBL3425755 0.81 CASP3 (0.40) CASP3SENP8SENP7SENP6MAPK14
SCHEMBL164967 0.81 HPN (0.54) CASP3SENP8SENP7SENP6F2
SCHEMBL7231465 0.81 CASP3 (0.52) CASP3SENP8SENP7SENP6MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261601-B1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
US-7342029-B2 2,3-Diphenyl-1H-indole-5-carboxylic acid; I kappa B kinase inhibitor; decrease activation of nuclear factor (NF) kappa B; antiinflammatory agent: arthritis, osteoarthritis, asthma, cardiac infarct, Alzheimer's disease, carcinomateous disorders or atherosclerosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-11 US disclosed
US-20050282866-A1 2,3-Diphenyl-1H-indole-5-carboxylic acid; I kappa B kinase inhibitor; decrease activation of nuclear factor (NF) kappa B; antiinflammatory agent: arthritis, osteoarthritis, asthma, cardiac infarct, Alzheimer's disease, carcinomateous disorders or atherosclerosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-12-22 US disclosed
CN-1172929-C substituted indoles ���ĵ�˹ҩ��¹����޹�˾ 2004-10-27 CN disclosed
US-20040209868-A1 Substituted indoles AVENTIS PHARMA DEUTSCHLAND GMBH 2004-10-21 US disclosed
US-20030119820-A1 Therapy of disorders resulting from increased activity of nuclear factor kappa-beta AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-26 US disclosed
EP-1261601-A1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY Aventis Pharma Deutschland GmbH (DE) 2002-12-04 EP disclosed
CN-1379772-A Substituted indoles for modulating NF kappa B activity AVENTIS PHARMA GMBH (DE) 2002-11-13 CN disclosed
WO-2001030774-A1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 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 (3 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-20040209868-A1 Substituted indoles NFKBIA, IKBKG, IKBKB CASP3 2453/4885SENP8 3014/4885SENP7 2926/4885
US-20030119820-A1 Therapy of disorders resulting from increased activity of nuclear factor kappa-beta NFKBIA, NFKB1, NFKB2 CASP3 3078/4885SENP8 2908/4885SENP7 2880/4885
US-20050282866-A1 2,3-Diphenyl-1H-indole-5-carboxylic acid; I kappa B kinase inhibitor; decrease activation of nuclear factor (NF) kappa B; antiinflammatory agent: arthritis, osteoarthritis, asthma, cardiac infarct, Alzheimer's disease, carcinomateous disorders or atherosclerosis NFKBIA, IKBKB, IKBKE CASP3 1791/4885SENP8 3865/4885SENP7 3497/4885

“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.