SCHEMBL3786473

SCHEMBL3786473

CCSc1ccc(Cl)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC6A4 P31645 3/20 0.39
MAOA P21397 1/20 0.39
GAA P10253 1/20 0.37
TYMS P04818 2/20 0.36
CYP3A4 P08684 2/20 0.35
GCK P35557 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3793113 0.84 TSHR (0.50) TSHRTP53CA12CA1CA2
SCHEMBL6496327 0.81 TP53 (0.44) TSHRTP53SLC6A4MAOACYP3A4
SCHEMBL8895334 0.79 THRB (0.49) TSHRTP53MAOAALDH1A1
SCHEMBL11477878 0.79 THRB (0.49) TSHRTP53MAOAALDH1A1
SCHEMBL1446458 0.78 ALDH1A1 (0.48) CA12CA1CA2CA9SLC6A4
SCHEMBL3785770 0.78 SLC6A4 (0.36) SLC6A4MAOAHTR2AHTR2CHTR2B
SCHEMBL30358458 0.77 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL3793427 0.77 TSHR (0.50) TSHRTP53CA12CA1CA2
SCHEMBL14750946 0.76 TSHR (0.54) TSHRTP53CA12CA1CA2
SCHEMBL30388760 0.76 TSHR (0.54) TSHRTP53CA12CA1CA2

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 TSHR 1688/4885TP53 2819/4885CA12 1438/4885

“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.