SCHEMBL3783495

SCHEMBL3783495

CCSc1ccc(-c2ccc(N)cc2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
GCK P35557 1/20 0.35
SLC6A4 P31645 2/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TYMS P04818 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS2 P35354 1/20 0.33
EPHX2 P34913 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3790204 0.86 ALDH1A1 (0.44) PTGDR2SLC6A4MAOAALDH1A1TDP1
SCHEMBL3785538 0.86 GCK (0.38) PTGDR2GCKSLC6A4MAOACNR1
SCHEMBL3785569 0.82 MAOA (0.39) GCKSLC6A4MAOACNR1CNR2
SCHEMBL3790109 0.80 APP (0.41) CYP3A4TSHRMAPK1ALDH1A1TP53
SCHEMBL3781960 0.79 TDP1 (0.50) SLC6A4MAOACYP3A4TSHRMAPK1
SCHEMBL3790219 0.77 ALDH1A1 (0.46) GCKSLC6A4MAOACNR1CNR2
SCHEMBL4523181 0.77 SLC6A4 (0.52) SLC6A4MAOACYP3A4TSHRMAPK1
SCHEMBL3785152 0.75 CNR1 (0.36) CNR1CNR2CYP3A4TSHRMAPK1
SCHEMBL3787091 0.75 ALDH1A1 (0.52) PTGDR2SLC6A4MAOAALDH1A1MEN1
Hydrochloric Acid SCHEMBL8897816 0.75 SLC6A4 (0.50) SLC6A4MAOACYP3A4TSHRMAPK1

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 PTGDR2 3672/4885GCK 4190/4885SLC6A4 3330/4885

“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.