SCHEMBL1115212

SCHEMBL1115212

O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
KLKB1 P03952 2/20 0.41
ADRB2 P07550 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
METAP2 P50579 1/20 0.39
NHERF1 O14745 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1111625 0.88 ALDH1A1 (0.44) CHRNA7ALDH1A1HTTKLKB1MEN1
SCHEMBL3404458 0.87 CHRNA7 (0.56) CHRNA7KLKB1ADRB2CACNA1GCACNA1H
SCHEMBL1115228 0.86 PDE2A (0.45) CHRNA7ALDH1A1KLKB1MEN1KMT2A
SCHEMBL3427389 0.83 CHRNA7 (0.49) CHRNA7ALDH1A1KLKB1ADRB2CACNA1G
SCHEMBL1111628 0.83 JUN (0.44) ALDH1A1HTTKLKB1MEN1KMT2A
SCHEMBL7999517 0.82 ALDH1A1 (0.44) CHRNA7ALDH1A1HTTKLKB1MEN1
SCHEMBL7987284 0.80 EPHX2 (0.56) CHRNA7ALDH1A1HTTMEN1KMT2A
SCHEMBL1111656 0.80 POLB (0.46) CHRNA7ALDH1A1HTTKLKB1MEN1
SCHEMBL1111565 0.79 KLKB1 (0.46) CHRNA7ALDH1A1HTTKLKB1MEN1
SCHEMBL7996732 0.79 ALDH1A1 (0.44) ALDH1A1HTTKLKB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US claimed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 EP claimed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US disclosed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 EP disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 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-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG CHRNA7 1/4885ALDH1A1 1122/4885HTT 2908/4885

“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.