SCHEMBL1376402

SCHEMBL1376402

Nc1ccc(F)c(Cl)c1CO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL27215165 0.83 TAAR1 (0.38) TAAR1ALDH1A1CYP3A4TSHRALOX15
SCHEMBL29705432 0.83 TAAR1 (0.38) TAAR1ALDH1A1CYP3A4TSHRALOX15
SCHEMBL488488 0.82 TAAR1 (0.39) TAAR1TNFRIPK1
SCHEMBL1358925 0.78 NOTUM (0.42) TAAR1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL16613034 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10433184 0.78 CA12 (0.37) ALDH1A1CYP3A4TSHRALOX15SMN1; SMN2
SCHEMBL21076786 0.77 DAO (0.36) TAAR1ALDH1A1CYP3A4TSHRALOX15
SCHEMBL634584 0.76 ALDH1A1 (0.36) TAAR1ALDH1A1
SCHEMBL23088480 0.75 CA12 (0.34) TAAR1ALDH1A1CYP3A4TSHRALOX15
SCHEMBL18797700 0.75 CYP1A2 (0.32) TAAR1TNFRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592083-A1 FUSED QUINAZOLINE DERIVATIVES AND USES THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2013-05-15 EP disclosed
US-20110288086-A1 POLYCYCLIC QUINAZOLINES, PREPARATION THEREOF, AND USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2011-11-24 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 (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-20110288086-A1 POLYCYCLIC QUINAZOLINES, PREPARATION THEREOF, AND USE THEREOF AURKA, AURKC, AURKB TAAR1 4677/4885ALDH1A1 3950/4885CYP3A4 952/4885

“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.