SCHEMBL3790063

SCHEMBL3790063

CNc1cc(N)cc(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ENPP2 Q13822 1/20 0.42
HTR6 P50406 1/20 0.33

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
SCHEMBL21308005 0.84 CA2 (0.35) KDM4EALDH1A1ENPP2
SCHEMBL3789991 0.84 CA2 (0.35) KDM4EALDH1A1ENPP2HTR6
SCHEMBL3781727 0.79 KDM4E (0.38) KDM4EALDH1A1ENPP2
SCHEMBL190209 0.77 ENPP2 (0.56) KDM4EALDH1A1ENPP2
SCHEMBL13677416 0.77 HTR6 (0.42) KDM4EALDH1A1HTR6
SCHEMBL12990555 0.77 HTR6 (0.47) KDM4EALDH1A1HTR6
SCHEMBL3786835 0.71 ALDH1A1 (0.57) KDM4EALDH1A1ENPP2
SCHEMBL10209998 0.71 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL12991010 0.69 ALDH1A1 (0.60) KDM4EALDH1A1HTR6
SCHEMBL3789580 0.69 ENPP2 (0.48) KDM4EALDH1A1ENPP2

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 KDM4E 2606/4885ALDH1A1 4339/4885ENPP2 1920/4885

“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.