SCHEMBL3783663

SCHEMBL3783663

CNc1cc(N)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 6/20 0.39
MAP4K4 O95819 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL3786718 0.88 CYP3A4 (0.40) TDP1HSD17B10CYP3A4TAAR1NPC1
SCHEMBL3790124 0.87 MAP4K4 (0.49) MAOACYP3A4MAP4K4TSHRMEN1
SCHEMBL3785718 0.85 MAOA (0.42) MAOATDP1HSD17B10CYP3A4TAAR1
SCHEMBL29973088 0.79 GAA (0.58) MAOATDP1HSD17B10CYP3A4TAAR1
SCHEMBL3789922 0.79 ALDH1A1 (0.48) TDP1HSD17B10CYP3A4NPC1ALDH1A1
SCHEMBL23783923 0.78 HDAC7 (0.45) CYP3A4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13478362 0.78 HDAC1 (0.56) HSD17B10ALDH1A1PTGDR2GAAHPGD
SCHEMBL30604026 0.77 ADORA1 (0.43) SMN1; SMN2TSHRKMT2AHPGDLMNA
SCHEMBL5231486 0.77 POLB (0.43) TDP1HSD17B10ALDH1A1MAP4K4MAPK1
SCHEMBL11295021 0.77 MAPT (0.46) ALDH1A1SMN1; SMN2PTGDR2HTTKMT2A

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 MAOA 348/4885TDP1 4196/4885HSD17B10 1100/4885

“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.