SCHEMBL3789358

SCHEMBL3789358

CCSc1ccc(-c2ccccc2N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
ATR Q13535 1/20 0.36
METAP2 P50579 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL3803867 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10RECQLL3MBTL1DHFR
SCHEMBL3789063 0.83 MAPT (0.52) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL3787062 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1DHFRMEN1
SCHEMBL5050311 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLL3MBTL1MEN1
SCHEMBL2857496 0.78 MEN1 (0.58) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL29565819 0.78 MEN1 (0.58) ALDH1A1HSD17B10RECQLMEN1KMT2A
SCHEMBL3787091 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLL3MBTL1DHFR
SCHEMBL5049871 0.77 TDP1 (0.41) ALDH1A1HSD17B10L3MBTL1DHFRMEN1
SCHEMBL3788821 0.77 RECQL (0.43) ALDH1A1HSD17B10RECQLL3MBTL1MEN1
SCHEMBL3790151 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10RECQLL3MBTL1DHFR

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.