SCHEMBL3781960

SCHEMBL3781960

CCSc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
SLC6A4 P31645 9/20 0.47
MAOA P21397 1/20 0.47
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 1/20 0.37
KIF11 P52732 1/20 0.37
PSMD14 O00487 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 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
SCHEMBL4523181 0.93 SLC6A4 (0.52) TDP1CYP3A4ALDH1A1SLC6A4MAOA
Hydrochloric Acid SCHEMBL8897816 0.91 SLC6A4 (0.50) TDP1CYP3A4ALDH1A1SLC6A4MAOA
SCHEMBL9793575 0.88 SLC6A4 (0.50) SLC6A4MAOANPC1RAB9ASLC2A1
SCHEMBL3789535 0.84 CYP3A4 (0.42) TDP1CYP3A4ALDH1A1TP53SLC6A4
SCHEMBL3789813 0.81 MAOA (0.53) CYP3A4SLC6A4MAOAMEN1TAAR1
SCHEMBL3787437 0.81 PTGS2 (0.56) TDP1CYP3A4ALDH1A1TP53SLC6A4
SCHEMBL346860 0.80 SLC6A4 (0.56) ALDH1A1SLC6A4MAOAMAPK1NPC1
SCHEMBL3783495 0.79 PTGDR2 (0.36) TDP1CYP3A4ALDH1A1TP53SLC6A4
SCHEMBL3785538 0.79 GCK (0.38) TDP1CYP3A4ALDH1A1TP53SLC6A4
SCHEMBL13170388 0.79 NPC1 (0.48) ALDH1A1SLC6A4MAOAMEN1NPC1

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 TDP1 4196/4885CYP3A4 177/4885ALDH1A1 4339/4885

“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.