SCHEMBL3787006

SCHEMBL3787006

Nc1cc(-c2ccccc2N)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC3 O15379 3/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ENPP2 Q13822 3/20 0.49
MGLL Q99685 3/20 0.49
PTPN1 P18031 1/20 0.48
CASP3 P42574 1/20 0.48
MAOB P27338 3/20 0.46
PLAU P00749 1/20 0.46
POLB P06746 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
ROCK2 O75116 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44

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
SCHEMBL3783894 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3793285 0.88 MGLL (0.63) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3790841 0.86 HDAC1 (0.57) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3785606 0.84 MGLL (0.57) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3786345 0.83 KDM1A (0.60) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3789191 0.83 NPC1 (0.61) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3792364 0.82 NPC1 (0.51) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3791383 0.82 MGLL (0.74) NPC1RAB9AENPP2MGLLPTPN1
SCHEMBL3811403 0.82 NPC1 (0.68) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL3789479 0.81 CASP3 (0.60) HDAC1HDAC2HDAC3NPC1RAB9A

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 HDAC1 1686/4885HDAC2 549/4885HDAC3 2675/4885

“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.