SCHEMBL12900638

SCHEMBL12900638

[C-]#[N+]c1ccc2[nH]c(C(F)(F)F)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CHRNA7 P36544 4/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 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
SCHEMBL12715335 0.73 CYP2A6 (0.53) KDM4EALDH1A1HPGD
SCHEMBL19753215 0.73 CYP2A6 (0.53) KDM4ECRHBPCRHR2CHRNA7KCNH2
SCHEMBL21959783 0.73 KDM4E (0.60) KDM4ECHRNA7KCNH2ALDH1A1CYP1A2
SCHEMBL30145 0.70 KDM4E (0.56) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL30063522 0.70 KDM4E (0.56) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL31020832 0.69 GAA (0.46) KDM4ECRHBPCRHR2CHRNA7KCNH2
SCHEMBL29955802 0.69 ENPP2 (0.43) KDM4ECRHBPCRHR2CHRNA7KCNH2
SCHEMBL1111552 0.69 IMPDH2 (0.51) KDM4EKCNH2
SCHEMBL10300650 0.69 LOXL2 (0.38) —
SCHEMBL84588 0.68 AHR (0.50) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 — — US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 — — US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 — — US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 — — 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 (3 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 KDM4E 1187/4885CRHBP 2766/4885CRHR2 896/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 KDM4E 1262/4885CRHBP 2860/4885CRHR2 953/4885
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 KDM4E 2285/4885CRHBP 3143/4885CRHR2 1405/4885

“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.

Send feedback