SCHEMBL3793183

SCHEMBL3793183

CC(=O)c1cc(N)cc(-c2cccc(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
FYN P06241 1/20 0.48
MCL1 Q07820 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
DHFR P00374 1/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3786043 0.89 FYN (0.57) MAOAFYNMCL1PBRM1CYP17A1
SCHEMBL3787106 0.87 MAPT (0.57) MAOAPBRM1HDAC2LMNAALDH1A1
SCHEMBL2558630 0.85 KMO (0.51) FYNDHFRHDAC2LMNA
SCHEMBL31489168 0.84 DHODH (0.57) MAOAMCL1PBRM1LMNAALDH1A1
SCHEMBL3791008 0.84 DHODH (0.57) MAOAMCL1PBRM1LMNAALDH1A1
SCHEMBL3785433 0.84 MAPT (0.62) MAOAFYNMCL1CYP17A1CYP3A4
SCHEMBL3784634 0.81 MAPT (0.47) CYP3A4DHFRHDAC2NPC1ALDH1A1
SCHEMBL29841359 0.81 PBRM1 (0.61) FYNPBRM1CYP3A4LMNANPC1
SCHEMBL330495 0.81 PBRM1 (0.61) FYNPBRM1CYP3A4LMNANPC1
Hydrochloric Acid SCHEMBL4369239 0.79 PBRM1 (0.59) FYNPBRM1CYP3A4LMNANPC1

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 MAOA 348/4885FYN 390/4885MCL1 3100/4885

“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.