SCHEMBL3790087

SCHEMBL3790087

Nc1ccccc1-c1ccc(Sc2ccccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ADORA2A P29274 1/20 0.39
ANXA2 P07355 1/20 0.39
S100A10 P60903 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL3780720 0.89 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAOAMAOBBCL2
SCHEMBL3790322 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAOAMAOBBCL2
SCHEMBL3784772 0.80 CYP3A4 (0.48) ALDH1A1MAOAMAOBBCL2MCL1
SCHEMBL3791339 0.80 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAOAMAOBBCL2
SCHEMBL30398364 0.79 MAOA (0.47) ALDH1A1MAOAMAOBBCL2MCL1
SCHEMBL6366825 0.79 MAOA (0.47) ALDH1A1MAOAMAOBBCL2MCL1
SCHEMBL3789395 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAOAMAOBBCL2
SCHEMBL2425694 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAOBHSD17B10ADORA2A
Diphenylsulfane SCHEMBL19712994 0.78 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAOAMAOBHSD17B10
SCHEMBL3790938 0.78 MAOA (0.48) ALDH1A1MAOAMAOBBCL2MCL1

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 4339/4885L3MBTL1 3838/4885MAOA 348/4885

“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.