SCHEMBL4297396

SCHEMBL4297396

O=CCn1c(=O)cnc2ncc(F)cc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4294487 0.86 CYP3A4 (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL4303686 0.83 KDM4E (0.33) ALDH1A1LMNATSHR
SCHEMBL3860262 0.81 HSD17B10 (0.38)
SCHEMBL4302268 0.79 PRPS1 (0.33)
SCHEMBL2512106 0.79 KCNH2 (0.42) USP2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL2799084 0.79 ALDH1A1 (0.40) USP2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4146040 0.79 KCNH2 (0.40) USP2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4297370 0.77 CYP1A2 (0.41) USP2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4146184 0.77 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL3520140 0.77 KCNH2 (0.41) USP2ALDH1A1LMNACYP1A2CYP3A4

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-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (2 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-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE AR, RCC2, NR3C2 USP2 3713/4885ALDH1A1 1227/4885LMNA 4334/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ USP2 3489/4885ALDH1A1 3885/4885LMNA 905/4885

“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.