SCHEMBL6495090

SCHEMBL6495090

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=S)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
BCHE P06276 1/20 0.36
HPN P05981 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6494027 0.88 ALOX15 (0.48) MEN1KMT2APOLBL3MBTL1GAA
SCHEMBL6496201 0.85 POLB (0.54) MEN1KMT2APOLBL3MBTL1GAA
SCHEMBL6495096 0.85 ALOX15 (0.35) ALOX15CCNT1CDK9BCHEHPN
SCHEMBL6495276 0.81 ALOX15 (0.34) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6495271 0.81 ALOX15 (0.34) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6933334 0.79 ALOX15 (0.45) MEN1KMT2APOLBL3MBTL1GAA
SCHEMBL6502530 0.77 KMT2A (0.43) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6501118 0.77 MEN1 (0.43) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6494226 0.77 SMO (0.41) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6497604 0.76 MEN1 (0.42) MEN1KMT2APOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
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 MEN1 4793/4885KMT2A 2042/4885POLB 2449/4885

“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.