SCHEMBL3786884

SCHEMBL3786884

CCCOc1ccc(Cl)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
DRD4 P21917 1/20 0.54
KDM4E B2RXH2 3/20 0.46
CSNK2A1 P68400 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3785877 0.93 DRD4 (0.54) MAPTDRD4KDM4ETP53CA12
SCHEMBL469903 0.85 MAPT (0.51) MAPTKDM4ECSNK2A1ALDH1A1TP53
SCHEMBL30595744 0.85 KMT2A (0.55) MAPTDRD4KDM4EALDH1A1TP53
SCHEMBL972452 0.85 KMT2A (0.55) MAPTDRD4KDM4EALDH1A1TP53
SCHEMBL29684116 0.84 DRD4 (0.52) MAPTDRD4KDM4EALDH1A1TP53
SCHEMBL13261015 0.82 KDM4E (0.64) KDM4EALDH1A1CA12CA1CA2
SCHEMBL11246033 0.82 MAPT (0.60) MAPTKDM4EALDH1A1TP53CA12
SCHEMBL30167072 0.82 MAPT (0.60) MAPTKDM4EALDH1A1TP53CA12
SCHEMBL14453655 0.82 KDM4E (0.63) MAPTDRD4KDM4EHTTKMT2A
SCHEMBL5460871 0.81 DRD4 (0.54) DRD4KDM4EALDH1A1TP53CA12

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 MAPT 3312/4885DRD4 1820/4885KDM4E 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.