SCHEMBL3787334

SCHEMBL3787334

CSc1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
HSP90AA1 P07900 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 2/20 0.38
HSP90AB1 P08238 1/20 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
SCHEMBL3793475 0.86 MAOA (0.52) MAOACYP3A4MEN1MECP2ALOX5
SCHEMBL3787921 0.86 CYP3A4 (0.46) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL19773856 0.85 ALDH1A1 (0.45) MAOAHSD17B10KMT2AALDH1A1MEN1
SCHEMBL3784048 0.81 MAOA (0.45) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL3789926 0.80 MAOA (0.48) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL3783094 0.79 ALDH1A1 (0.45) MAOAHSD17B10CYP3A4TDP1KMT2A
SCHEMBL4267156 0.78 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL15837471 0.78 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL3995431 0.78 MAOA (0.67) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL9292674 0.76 ALDH1A1 (0.43) TDP1ALDH1A1PTGS2IDO1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO disclosed
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 348/4885HSD17B10 1100/4885CYP3A4 177/4885

“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.