SCHEMBL3784732

SCHEMBL3784732

CCSc1cc(N)cc(-c2ccccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
S100A4 P26447 2/20 0.34
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL3790151 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10RECQLL3MBTL1S100A4
SCHEMBL3783094 0.83 ALDH1A1 (0.45) ALDH1A1HSD17B10L3MBTL1MAP2K7CDC25A
SCHEMBL3787091 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLL3MBTL1S100A4
SCHEMBL3784048 0.81 MAOA (0.45) ALDH1A1HSD17B10EPHX2MEN1KMT2A
SCHEMBL3783780 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1ADORA2AKDM4E
SCHEMBL3789498 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10RECQLL3MBTL1S100A4
SCHEMBL3781383 0.76 MAOA (0.48) ALDH1A1RECQLEPHX2MEN1KDM4E
SCHEMBL3790219 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10RECQLL3MBTL1S100A4
SCHEMBL3789535 0.75 CYP3A4 (0.42) ALDH1A1HSD17B10L3MBTL1EPHX2MEN1
SCHEMBL3803867 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10RECQLL3MBTL1S100A4

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 ALDH1A1 4339/4885HSD17B10 1100/4885RECQL 1576/4885

“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.