SCHEMBL3794232

SCHEMBL3794232

CC(=O)c1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
MAOA P21397 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PPM1B O75688 1/20 0.42
MAP4K4 O95819 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL3781881 0.86 MCL1 (0.57) MCL1MAOACA12CA1CA2
SCHEMBL3789666 0.86 IKBKB (0.56) MCL1PPM1BALDH1A1MAPTKDM4E
SCHEMBL3784526 0.84 IKBKB (0.54) MCL1MAOACA12CA1CA2
SCHEMBL3791264 0.84 PPM1B (0.50) MCL1CYP3A4PPM1BALDH1A1MAPT
SCHEMBL3808754 0.79 MCL1 (0.45) MCL1MAOAMAP4K4ALDH1A1MAPT
SCHEMBL3181880 0.79 ALDH1A1 (0.47) MCL1CYP3A4ALDH1A1MAPTKDM4E
SCHEMBL27724618 0.79 PBRM1 (0.57) MCL1MAOACA1CA2CA9
SCHEMBL3785433 0.79 MAPT (0.62) MCL1MAOACA12CA1CA2
SCHEMBL3788925 0.78 MCL1 (0.44) MCL1MAOACA12CA1CA2
SCHEMBL3786043 0.77 FYN (0.57) MCL1MAOACYP17A1CYP3A4CYP19A1

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 MCL1 3100/4885MAOA 348/4885CA12 1438/4885

“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.