SCHEMBL3785301

SCHEMBL3785301

CCCCOc1cc(N)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL3790126 0.91 MAPT (0.47) TSHRMAPTKMT2ARAB9ANPC1
SCHEMBL3784498 0.86 MAPT (0.53) TSHRMAPTKMT2ARAB9ANPC1
SCHEMBL29761211 0.86 TSHR (0.56) TSHRMAPTRAB9ANPC1KDM4E
SCHEMBL8297095 0.86 MAPT (0.59) TSHRMAPTKMT2ARAB9ANPC1
SCHEMBL3794390 0.82 TP53 (0.52) TSHRMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7043915 0.80 TSHR (0.65) TSHRMAPTRAB9ANPC1HSD17B10
SCHEMBL16959945 0.79 MAPT (0.47) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12709818 0.79 TSHR (0.68) TSHRMAPTRAB9ANPC1HSD17B10
SCHEMBL20556335 0.79 MAPT (0.55) TSHRMAPTKMT2ARAB9ANPC1
SCHEMBL12709819 0.79 TSHR (0.68) TSHRMAPTRAB9ANPC1HSD17B10

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 1688/4885MAPT 3312/4885KMT2A 1474/4885

“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.