SCHEMBL6502495

SCHEMBL6502495

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ACLY P53396 1/20 0.39
MAPK14 Q16539 1/20 0.38
VCP P55072 1/20 0.38
MEN1 O00255 2/20 0.38
BRD4 O60885 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
IDH1 O75874 2/20 0.37
ROCK2 O75116 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
SCHEMBL6496748 0.90 PI4KB (0.42) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6496194 0.86 MAPT (0.43) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6497333 0.83 KMT2A (0.61) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6833659 0.82 IDH1 (0.45) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6493899 0.81 MAPT (0.47) ACP1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6496010 0.81 ACLY (0.63) ALDH1A1MAPTKDM4EACLYALOX15
SCHEMBL6494687 0.77 HDAC8 (0.44) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6494541 0.77 MAPT (0.44) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6493106 0.77 MAPT (0.54) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6803530 0.76 ALDH1A1 (0.55) ALDH1A1ACLYALOX15

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 ACP1 4649/4885KMT2A 2042/4885ALDH1A1 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.