SCHEMBL3783969

SCHEMBL3783969

Cc1cc(N)cc(-c2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAOB P27338 1/20 0.37
CYP3A4 P08684 3/20 0.37

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
SCHEMBL18614705 0.94 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL28253214 0.90 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL13447766 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL3785934 0.85 TSHR (0.46) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL18585258 0.81 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1NPC1KDM4E
SCHEMBL30839744 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL6011277 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRNPC1GAA
SCHEMBL27185952 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL13448367 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRL3MBTL1NPC1
SCHEMBL5671941 0.78 ALDH1A1 (0.70) ALDH1A1HSD17B10TSHRL3MBTL1NPC1

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 1100/4885TSHR 1688/4885

“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.