SCHEMBL4026828

SCHEMBL4026828

NCCC(CNc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.39
HRH1 P35367 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CPA3 P15088 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL4026649 0.84 KMT2A (0.46) MAPTHTTSMN1; SMN2LTA4HMEN1
SCHEMBL5508265 0.83 CPA3 (0.57) CYP1A2TSHRCPA3GAA
SCHEMBL10765112 0.80 MAPK1 (0.57) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5514976 0.79 MAPT (0.48) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5513749 0.79 PTGER1 (0.49) CYP1A2TSHRCPA3GAA
SCHEMBL11019050 0.79 MEN1 (0.56) MAPTCYP1A2HTTSMN1; SMN2MEN1
SCHEMBL5523832 0.79 CPA1 (0.55) MAPTCYP1A2HTTSMN1; SMN2LTA4H
SCHEMBL12942805 0.77 MAPT (0.56) MAPTHTTSMN1; SMN2HRH1MEN1
SCHEMBL3198336 0.74 ALPI (0.52) MAPTLTA4HSLC1A2SLC1A1
SCHEMBL1339972 0.74 ALPI (0.52) MAPTLTA4HSLC1A2SLC1A1

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 11 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
EP-1194425-B1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA GMBH (DE) 2005-08-10 EP 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
EP-1194425-A1 SUBSTITUTED BENZIMIDAZOLE Aventis Pharma Deutschland GmbH (DE) 2002-04-10 EP disclosed
US-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed
WO-2001030774-A1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 WO disclosed
WO-2001000610-A1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-04 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 MAPT 1339/4885CYP1A2 68/4885HTT 1823/4885
US-20030119820-A1 Therapy of disorders resulting from increased activity of nuclear factor kappa-beta NFKBIA, NFKB1, NFKB2 MAPT 2154/4885CYP1A2 892/4885HTT 2624/4885
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 MAPT 455/4885CYP1A2 2405/4885HTT 1823/4885

“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.