SCHEMBL3786294

SCHEMBL3786294

CCNc1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
LIPG Q9Y5X9 1/20 0.41
ENPP2 Q13822 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPE Q05469 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
FABP4 P15090 1/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL29953234 1.00 IDO1 (0.46) IDO1LIPGENPP2CYP3A4TSHR
SCHEMBL3792191 0.83 IDO1 (0.49) IDO1LIPGENPP2KMT2AMAPT
SCHEMBL3786919 0.82 CYP3A4 (0.39) IDO1LIPGENPP2CYP3A4TSHR
SCHEMBL20296892 0.81 ENPP2 (0.38) IDO1LIPGENPP2TSHRRECQL
SCHEMBL3790317 0.80 IDO1 (0.37) IDO1LIPGENPP2CYP3A4TSHR
SCHEMBL3186346 0.79 KDM4E (0.50) ENPP2TSHRRECQLPOLBMAPT
SCHEMBL3784528 0.78 IDO1 (0.41) IDO1LIPGCYP3A4TSHRRECQL
SCHEMBL526384 0.78 IDO1 (0.52) IDO1CYP3A4TSHRRECQLMEN1
SCHEMBL5823951 0.76 KMT2A (0.40) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5804938 0.76 IDO1 (0.50) IDO1CYP3A4TSHRRECQLMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848668-B Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2023-03-03 CN disclosed
CN-111848668-A Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-10-30 CN disclosed
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 310/4885LIPG 3010/4885ENPP2 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.