SCHEMBL3784528

SCHEMBL3784528

CCNc1cccc(NCC)c1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GRM5 P41594 1/20 0.35
MAPT P10636 3/20 0.33
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 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
SCHEMBL3786294 0.78 IDO1 (0.46) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL29953234 0.78 IDO1 (0.46) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL3786919 0.78 CYP3A4 (0.39) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL3790317 0.76 IDO1 (0.37) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL3791237 0.75 MAPT (0.39) IDO1USP2TSHRRECQLMAPT
SCHEMBL526384 0.73 IDO1 (0.52) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL9151179 0.72 KMT2A (0.48) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL8164568 0.72 MEN1 (0.44) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL27859146 0.71 IDO1 (0.42) IDO1MEN1KMT2AUSP2CASP1
Hydrochloric Acid SCHEMBL5804938 0.71 IDO1 (0.50) IDO1MEN1KMT2AUSP2CASP1

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 IDO1 310/4885MEN1 174/4885KMT2A 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.