SCHEMBL12900640

SCHEMBL12900640

[C-]#[N+]c1ccc2c(c1)cc(C(F)(F)F)n2C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 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
SCHEMBL8899522 0.76 RXFP1 (0.43) KDM4EMAPTRXFP1
SCHEMBL1115437 0.73 BRPF1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8898917 0.73 KMT2A (0.48) KDM4EALDH1A1HPGDMAPT
SCHEMBL1113031 0.72 XDH (0.41) —
SCHEMBL12320558 0.68 KIF11 (0.36) —
SCHEMBL12320518 0.68 KIF11 (0.36) —
SCHEMBL12320842 0.67 KIF11 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8897533 0.66 PSMB8 (0.38) KDM4EALDH1A1HPGDMAPT
SCHEMBL12278046 0.63 KIF11 (0.32) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL28129146 0.62 XDH (0.44) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 — — US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 — — US 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-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 KDM4E 2285/4885ALDH1A1 1710/4885HPGD 2106/4885

“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.

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