SCHEMBL6501944

SCHEMBL6501944

COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 4/20 0.55
CA12 O43570 3/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 1/20 0.53
SMO Q99835 1/20 0.49
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6494681 0.85 SMO (0.54) ALDH1A1MAPTSMOALOX15SMN1; SMN2
SCHEMBL6505453 0.83 SMO (0.50) ALDH1A1MAPTSMOALOX15LMNA
SCHEMBL6496744 0.82 KMT2A (0.51) ALDH1A1MAPTSMOALOX15LMNA
SCHEMBL6501949 0.81 CA12 (0.52) CA1CA2CA9CA12ALDH1A1
SCHEMBL6495159 0.80 RAB9A (0.51) CA1CA2CA9CA12ALDH1A1
SCHEMBL6494591 0.79 SMO (0.47) ALDH1A1MAPTSMOALOX15SMN1; SMN2
SCHEMBL6504271 0.78 SMO (0.55) ALDH1A1MAPTSMOALOX15LMNA
SCHEMBL13784990 0.77 ALDH1A1 (0.67) CA1CA2CA9CA12ALDH1A1
SCHEMBL6494603 0.76 SMO (0.44) ALDH1A1MAPTSMOALOX15LMNA
SCHEMBL3410188 0.76 ALDH1A1 (0.66) CA1CA2CA9CA12ALDH1A1

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 CA1 4548/4885CA2 3092/4885CA9 3735/4885

“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.