SCHEMBL6504271

SCHEMBL6504271

COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1cccc(CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.55
ALOX15 P16050 1/20 0.46
GAA P10253 5/20 0.43
ALDH1A1 P00352 3/20 0.43
PPARG P37231 2/20 0.43
HPSE Q9Y251 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARD Q03181 2/20 0.42
FABP4 P15090 1/20 0.42
KDR P35968 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC3 O15379 1/20 0.41
PTGER2 P43116 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL6505453 0.91 SMO (0.50) SMOALOX15GAAALDH1A1PPARG
SCHEMBL6494681 0.83 SMO (0.54) SMOALOX15ALDH1A1MEN1MAPT
SCHEMBL6504277 0.81 ALOX15 (0.46) SMOALOX15GAAPPARGMAPT
SCHEMBL6496744 0.80 KMT2A (0.51) SMOALOX15GAAALDH1A1MEN1
SCHEMBL6501944 0.78 CA1 (0.55) SMOALOX15ALDH1A1MAPTSMN1; SMN2
SCHEMBL6505458 0.77 ALOX15 (0.47) SMOALOX15GAAPPARGMEN1
SCHEMBL6494591 0.77 SMO (0.47) SMOALOX15GAAALDH1A1MAPT
SCHEMBL6495159 0.76 RAB9A (0.51) SMOALOX15ALDH1A1MEN1MAPT
SCHEMBL7194214 0.75 MAPT (0.54) SMOGAAALDH1A1MEN1MAPT
SCHEMBL31061038 0.75 ALDH1A1 (0.49) SMOGAAALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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 (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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 SMO 2783/4885ALOX15 1/4885GAA 3535/4885

“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.