SCHEMBL3786340

SCHEMBL3786340

CCSc1cccc(N)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ATR Q13535 1/20 0.37
DHFR P00374 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35
HTR7 P34969 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
RECQL P46063 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL3791267 0.88 MEN1 (0.35) POLBADORA2AADORA1MEN1KMT2A
SCHEMBL3789215 0.85 MAOA (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3780716 0.82 RECQL (0.42) POLBADORA2AMEN1KMT2AHSD17B10
SCHEMBL2857496 0.80 MEN1 (0.58) POLBADORA2AADORA1MEN1KMT2A
SCHEMBL29565819 0.80 MEN1 (0.58) POLBADORA2AADORA1MEN1KMT2A
SCHEMBL3788453 0.79 MAPT (0.41) POLBADORA2AADORA1MEN1KMT2A
SCHEMBL4962528 0.79 MAPT (0.44) POLBADORA2AMEN1KMT2AHSD17B10
Aniline SCHEMBL22169134 0.77 POLB (0.53) POLBADORA2AADORA1MEN1KMT2A
SCHEMBL3789786 0.75 HTR7 (0.45) POLBADORA2AADORA1HSD17B10MAPT
SCHEMBL3789063 0.75 MAPT (0.52) POLBADORA2AADORA1MEN1KMT2A

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 POLB 2303/4885ADORA2A 2101/4885ADORA1 3725/4885

“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.