SCHEMBL7996732

SCHEMBL7996732

O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1cnc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.44
NHERF1 O14745 1/20 0.44
KLKB1 P03952 2/20 0.44
MAP4K1 Q92918 1/20 0.44
METAP2 P50579 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 4/20 0.43
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL8002663 0.90 ALDH1A1 (0.45) ALDH1A1HTTMAOBKLKB1MAP4K1
SCHEMBL12900635 0.89 ALDH1A1 (0.49) ALDH1A1HTTKLKB1MEN1KMT2A
SCHEMBL7999517 0.86 ALDH1A1 (0.44) ALDH1A1HTTKLKB1MAP4K1MEN1
SCHEMBL8000039 0.86 POLB (0.46) ALDH1A1HTTKLKB1MEN1KMT2A
SCHEMBL7987320 0.86 ITK (0.49) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL1111565 0.86 KLKB1 (0.46) ALDH1A1HTTMAOBNHERF1KLKB1
SCHEMBL12958860 0.85 ALDH1A1 (0.48) ALDH1A1HTTKLKB1MEN1KMT2A
SCHEMBL1111647 0.85 ALDH1A1 (0.44) ALDH1A1HTTMAOBKLKB1MEN1
SCHEMBL11981731 0.85 ALDH1A1 (0.44) ALDH1A1HTTMAOBKLKB1MAP4K1
SCHEMBL1111628 0.83 JUN (0.44) ALDH1A1HTTMAOBNHERF1KLKB1

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
CN-102066356-B Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2014-06-11 CN claimed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US claimed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
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
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 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-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1710/4885HTT 2108/4885MAOB 688/4885

“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.