SCHEMBL6495423

SCHEMBL6495423

CCOP(=O)(Cc1ccc(N(S)C(=O)Nc2cc(-c3cc4cc(F)c(F)cc4[nH]3)ccc2OC)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
KCNQ2 O43526 1/20 0.35
HDAC1 Q13547 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
BTK Q06187 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL6494600 0.89 ALOX15 (0.46) ALOX15KCNQ2HDAC1NPSR1KDM4E
SCHEMBL6495417 0.83 ALDH1A1 (0.39) ALOX15KCNQ2HDAC1KDM4EHTT
SCHEMBL6501121 0.83 LTB4R (0.37) ALOX15NPSR1HTTALDH1A1MAPT
SCHEMBL6497603 0.82 LTB4R (0.37) ALOX15NPSR1HTTALDH1A1MAPT
SCHEMBL6504814 0.80 ACLY (0.38) ALOX15NPSR1ALDH1A1MAPT
SCHEMBL6494231 0.80 ALOX15 (0.36) ALOX15HTTALDH1A1POLBMAPT
SCHEMBL6503850 0.78 ACLY (0.38) ALOX15HTTPOLBMAPTBLM
SCHEMBL6505458 0.74 ALOX15 (0.47) ALOX15NPSR1KDM4EMAPT
SCHEMBL6495096 0.72 ALOX15 (0.35) ALOX15KCNQ2NPSR1CCNT1CDK9
SCHEMBL6494591 0.72 SMO (0.47) ALOX15KCNQ2HDAC1KDM4EHTT

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 ALOX15 1/4885KCNQ2 3575/4885HDAC1 1012/4885

“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.