Sugi Predict

Sugi Predict / Compounds / SCHEMBL6505067

SCHEMBL6505067

SCHEMBL6505067

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=S)N[C@@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL6504212 0.89 ALDH1A1 (0.48) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6495427 0.89 ALDH1A1 (0.48) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6503948 0.86 ROCK2 (0.40) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6503078 0.86 ROCK2 (0.40) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6502530 0.80 KMT2A (0.43) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL6496201 0.79 POLB (0.54) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6504811 0.78 KMT2A (0.49) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6501118 0.78 MEN1 (0.43) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6494226 0.78 SMO (0.41) ALDH1A1GAAKMT2ALMNAPOLB
SCHEMBL6505072 0.78 ROCK2 (0.40) ALDH1A1GAAKMT2APOLBMEN1

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 ALDH1A1 470/4885GAA 3535/4885KMT2A 2042/4885

“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.