SCHEMBL3785271

SCHEMBL3785271

Nc1ccc(-c2cccc(Sc3ccccc3)c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
NSD2 O96028 1/20 0.45
ADORA2A P29274 1/20 0.43
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DHFR P00374 2/20 0.40
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDR P35968 3/20 0.38
FLT3 P36888 3/20 0.38
TYMS P04818 2/20 0.38
NCOA1 Q15788 1/20 0.38

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
SCHEMBL3793221 0.91 MAPT (0.49) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL3787013 0.87 CYP3A4 (0.46) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL3789385 0.83 MAOA (0.48) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL4962525 0.81 ALDH1A1 (0.48) HPGDKDM4EMAPTMAPK1NSD2
SCHEMBL3790383 0.79 ALDH1A1 (0.48) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL3785445 0.77 HPGD (0.54) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL3783381 0.77 HPGD (0.50) HPGDCYP2C9CYP2C19KDM4EMAPT
SCHEMBL27694636 0.77 HSD17B10 (0.64) HPGDKDM4EMAPTCYP3A4HSD17B10
SCHEMBL3787018 0.77 KDR (0.38) HPGDKDM4EMAPTCYP3A4HSD17B10
SCHEMBL3781813 0.76 ALDH1A1 (0.44) HPGDCYP2C9CYP2C19KDM4EMAPT

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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HPGD 2790/4885CYP2C9 157/4885CYP2C19 196/4885

“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.