SCHEMBL6496206

SCHEMBL6496206

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N(S)C(=O)NCCO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KCNQ2 O43526 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
VCP P55072 1/20 0.32
PTGER3 P43115 1/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ACR P10323 1/20 0.31

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
SCHEMBL6502531 0.83 MEN1 (0.40) KCNQ2MAPTALDH1A1KDM4EGAA
SCHEMBL6505072 0.80 ROCK2 (0.40) MAPTALDH1A1GAA
SCHEMBL6503082 0.80 ROCK2 (0.42) MAPTALOX15
SCHEMBL6493590 0.79 LMNA (0.42) MAPTALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6494612 0.79 LMNA (0.41) MAPTALDH1A1KDM4EGAA
SCHEMBL6496201 0.76 POLB (0.54) MAPTALDH1A1GAA
SCHEMBL6504814 0.72 ACLY (0.38) MAPTALDH1A1ALOX15GAA
SCHEMBL7073827 0.72 MAPT (0.41) BRD4MAPTALDH1A1KDM4E
SCHEMBL6501121 0.72 LTB4R (0.37) MAPTALDH1A1ALOX15
SCHEMBL6494231 0.72 ALOX15 (0.36) MAPTALDH1A1ALOX15

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 TLR8 4245/4885TLR7 4488/4885KCNQ2 3575/4885

“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.