SCHEMBL6505072

SCHEMBL6505072

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N(S)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ROCK1 Q13464 3/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL6495430 0.89 KMT2A (0.44) ROCK2KMT2AMEN1RCE1ROCK1
SCHEMBL6503082 0.87 ROCK2 (0.42) ROCK2ROCK1TP53MAPT
SCHEMBL6496206 0.80 TLR8 (0.35) ALDH1A1GAAMAPT
SCHEMBL6502531 0.80 MEN1 (0.40) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6493590 0.78 LMNA (0.42) KMT2AMEN1ALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL6494612 0.78 LMNA (0.41) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL6505067 0.78 ALDH1A1 (0.45) ROCK2KMT2AMEN1RCE1ROCK1
SCHEMBL6494231 0.71 ALOX15 (0.36) ALDH1A1TP53MAPK1POLBMAPT
SCHEMBL6501121 0.71 LTB4R (0.37) KMT2AMEN1ALDH1A1TP53MAPK1
SCHEMBL6503850 0.71 ACLY (0.38) TP53MAPK1POLBMAPT

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 ROCK2 1398/4885KMT2A 2042/4885MEN1 4793/4885

“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.