SCHEMBL6496748

SCHEMBL6496748

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL6502495 0.90 ACP1 (0.44) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6493899 0.88 MAPT (0.47) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6494687 0.83 HDAC8 (0.44) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6493106 0.83 MAPT (0.54) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6833659 0.83 IDH1 (0.45) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6496194 0.80 MAPT (0.43) PI4KBKDM4EALDH1A1MAPTHPGD
SCHEMBL7086777 0.78 HDAC8 (0.39) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6497333 0.77 KMT2A (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6494541 0.77 MAPT (0.44) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7159203 0.77 ABCB1 (0.44) KDM4EALDH1A1MAPTHPGDKMT2A

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 PI4KB 2376/4885KDM4E 881/4885ALDH1A1 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.