SCHEMBL3780914

SCHEMBL3780914

CNc1cccc(-c2ccccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
BTK Q06187 1/20 0.42
TSHR P16473 1/20 0.41
DHFR P00374 1/20 0.38
ASH1L Q9NR48 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NUDT1 P36639 1/20 0.36
CNR1 P21554 1/20 0.36
NTRK1 P04629 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC1 Q13547 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
SCHEMBL24617986 0.82 BRD4 (0.53) ALDH1A1BRD4L3MBTL1BTKTSHR
SCHEMBL19268415 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL3784609 0.80 HSD17B10 (0.45) ALDH1A1HSD17B10BRD4L3MBTL1TSHR
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL25973949 0.79 BRD4 (0.50) ALDH1A1HSD17B10BRD4L3MBTL1BTK
SCHEMBL3786028 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL397621 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10BRD4TSHRKDM4E
SCHEMBL3790053 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TSHRNUDT1
SCHEMBL3784065 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TSHRNUDT1
SCHEMBL1038467 0.76 TSHR (0.59) ALDH1A1BRD4TSHRADORA3CNR1

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 1100/4885BRD4 96/4885

“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.