SCHEMBL3790685

SCHEMBL3790685

Nc1cccc(-c2c(N)cccc2Sc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NSD2 O96028 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MECP2 P51608 1/20 0.39
DHFR P00374 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
MAP4K4 O95819 2/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3790004 0.88 MAPT (0.49) MAPTKDM4EHPGDALDH1A1NSD2
SCHEMBL3784494 0.83 HPGD (0.46) MAPTKDM4EHPGDALDH1A1NSD2
SCHEMBL3790028 0.80 MAOA (0.52) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3791102 0.79 MAOA (0.55) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3783547 0.79 MAOA (0.55) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL4962528 0.79 MAPT (0.44) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3800339 0.78 MAOA (0.44) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3789385 0.77 MAOA (0.48) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3800110 0.76 MAPT (0.56) MAOAMAPTKDM4EHPGDALDH1A1
SCHEMBL3791331 0.75 MAOA (0.65) MAOAMAPTKDM4EHPGDALDH1A1

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 348/4885MAPT 3312/4885KDM4E 2606/4885

“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.