SCHEMBL58712

SCHEMBL58712

O=C(O)N(c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
KDR P35968 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CETP P11597 1/20 0.43
S1PR1 P21453 1/20 0.43
TP53 P04637 1/20 0.43
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
MAPT P10636 1/20 0.42
PDK1 Q15118 1/20 0.41
POLQ O75417 1/20 0.41
CASR P41180 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL28217604 0.88 GRM4 (0.44) GRM4KDRLMNASMN1; SMN2USP2
SCHEMBL1942998 0.88 POLQ (0.41) KDRLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL59388 0.84 GRM4 (0.45) GRM4ALDH1A1POLQNPSR1NOTUM
SCHEMBL2091976 0.80 NPSR1 (0.47) LMNAALDH1A1TSHRPPARGNPSR1
SCHEMBL27564932 0.80 MAPT (0.42) KDRLMNAS1PR1MAPTNOTUM
SCHEMBL4246399 0.80 HTR3E (0.49) GRM4KDRLMNASMN1; SMN2S1PR1
SCHEMBL1942322 0.78 TAS2R14 (0.49)
SCHEMBL30019653 0.78 HTR3E (0.44) GRM4KDRLMNAS1PR1TP53
SCHEMBL1525499 0.78 HTR3E (0.44) GRM4KDRLMNAS1PR1TP53
SCHEMBL1513968 0.77 NPFFR2 (0.43) GRM4KDRLMNASMN1; SMN2ALDH1A1

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-9783499-B2 Quinoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2017-10-10 US disclosed
US-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-10-29 US disclosed
US-8338595-B2 Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
CN-102311384-A Preparation method of sorafenib XIANGZHEN BIOTECHNOLOGY CO LTD 2012-01-11 CN 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-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS MET, RAF1, RET GRM4 1518/4885KDR 297/4885LMNA 1971/4885

“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.