SCHEMBL6494591

SCHEMBL6494591

CCOP(=O)(Cc1ccc(NC(=S)Nc2cc(-c3cc4ccccc4[nH]3)ccc2OC)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.47
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNQ2 O43526 1/20 0.39
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NTRK1 P04629 3/20 0.37
NTRK2 Q16620 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL6495417 0.89 ALDH1A1 (0.39) SMOALOX15ALDH1A1GAACCNT1
SCHEMBL6494603 0.85 SMO (0.44) SMOALOX15ALDH1A1GAASMN1; SMN2
SCHEMBL6505453 0.84 SMO (0.50) SMOALOX15ALDH1A1GAASMN1; SMN2
SCHEMBL6494600 0.83 ALOX15 (0.46) SMOALOX15ALDH1A1CCNT1CDK9
SCHEMBL6494681 0.81 SMO (0.54) SMOALOX15ALDH1A1SMN1; SMN2MAPT
SCHEMBL6501944 0.79 CA1 (0.55) SMOALOX15ALDH1A1SMN1; SMN2MAPT
SCHEMBL6496744 0.78 KMT2A (0.51) SMOALOX15ALDH1A1GAASMN1; SMN2
SCHEMBL6504271 0.77 SMO (0.55) SMOALOX15ALDH1A1GAASMN1; SMN2
SCHEMBL6495428 0.74 ALDH1A1 (0.40) SMOALOX15ALDH1A1GAASMN1; SMN2
SCHEMBL6495159 0.74 RAB9A (0.51) SMOALOX15ALDH1A1SMN1; SMN2MAPT

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 SMO 2783/4885ALOX15 1/4885ALDH1A1 470/4885

“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.