SCHEMBL3785609

SCHEMBL3785609

NCc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
TAAR1 Q96RJ0 4/20 0.50
DPP4 P27487 1/20 0.47
MAOA P21397 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
IKBKB O14920 1/20 0.43

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
SCHEMBL3785687 0.85 TDP1 (0.48) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3787222 0.84 MAOA (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4888958 0.83 MAPT (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3804563 0.83 TAAR1 (0.50) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL31570069 0.83 MAPT (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3793580 0.82 HSD17B10 (0.57) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL19199865 0.82 HSD17B10 (0.52) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL27868391 0.82 MAPT (0.52) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3790218 0.80 ALDH1A1 (0.48) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3924845 0.78 ALOX5 (0.57) HSD17B10MEN1KMT2AMAPTKDM4E

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 HSD17B10 1100/4885MEN1 174/4885KMT2A 1474/4885

“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.