SCHEMBL3784570

SCHEMBL3784570

Nc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.66
MGLL Q99685 3/20 0.63
POLB P06746 1/20 0.62
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
KDM1A O60341 3/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
RCOR1 Q9UKL0 2/20 0.59
ENPP2 Q13822 2/20 0.57
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL1707562 0.95 POLB (0.68) ROCK2MGLLPOLBTP53MAPT
SCHEMBL4690673 0.90 POLB (0.61) ROCK2MGLLPOLBTP53MAPT
SCHEMBL9128045 0.88 ROCK2 (0.69) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3787599 0.88 MGLL (0.71) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3787594 0.88 MGLL (0.64) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3789318 0.88 MGLL (0.85) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3790969 0.86 MGLL (0.57) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3790297 0.86 MGLL (0.57) ROCK2MGLLPOLBTP53MAPT
SCHEMBL3786345 0.85 KDM1A (0.60) ROCK2MGLLPOLBTP53MAPT
Benzyl Phenylcarbamate SCHEMBL1222943 0.84 POLB (0.78) ROCK2MGLLPOLBTP53MAPT

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 ROCK2 2432/4885MGLL 1314/4885POLB 2303/4885

“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.