SCHEMBL6497604

SCHEMBL6497604

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=S)Nc1ccc(C(=O)O)cc1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SMO Q99835 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
MIF P14174 1/20 0.39
LTB4R Q15722 1/20 0.38

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
SCHEMBL6501118 0.99 MEN1 (0.43) MEN1KMT2ATDP1RAB9ACTDSP1
SCHEMBL6497598 0.98 MEN1 (0.42) MEN1KMT2ATDP1RAB9ACTDSP1
SCHEMBL6494226 0.92 SMO (0.41) MEN1KMT2ATDP1SMOPOLB
SCHEMBL6497601 0.90 SMO (0.40) MEN1KMT2ASMOALDH1A1SMN1; SMN2
SCHEMBL6503846 0.89 ALDH1A1 (0.49) MEN1KMT2ATDP1RAB9ASMO
SCHEMBL31061038 0.89 ALDH1A1 (0.49) MEN1KMT2ATDP1RAB9ASMO
SCHEMBL6502530 0.87 KMT2A (0.43) MEN1KMT2ASMOALDH1A1GAA
SCHEMBL6494681 0.86 SMO (0.54) MEN1KMT2ATDP1RAB9ACTDSP1
SCHEMBL6504811 0.83 KMT2A (0.49) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL6501121 0.81 LTB4R (0.37) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 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 2042/4885TDP1 2987/4885

“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.