SCHEMBL3781477

SCHEMBL3781477

CN(C)c1ccc(-c2cccc(N)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ADK P55263 1/20 0.49
PNPLA2 Q96AD5 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
AOC3 Q16853 2/20 0.48
MAP4K4 O95819 2/20 0.47
CYP17A1 P05093 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46

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
SCHEMBL3780784 0.86 MAOA (0.56) MAOACYP3A4ALDH1A1TP53ADK
SCHEMBL19698856 0.85 PNPLA2 (0.56) CYP3A4ALDH1A1ALOX15TP53MAPK1
Hydrochloric Acid SCHEMBL10586285 0.84 MAOA (0.42) MAOACYP3A4ALDH1A1ALOX15TP53
SCHEMBL19446666 0.82 MAOA (0.84) MAOACYP3A4ALDH1A1TDP1CA12
SCHEMBL29394565 0.82 MAOA (0.84) MAOACYP3A4ALDH1A1TDP1CA12
SCHEMBL31131353 0.82 MAOA (0.84) MAOACYP3A4ALDH1A1TDP1CA12
SCHEMBL311194 0.82 MAOA (0.84) MAOACYP3A4ALDH1A1TDP1CA12
SCHEMBL29561461 0.82 MAOA (0.84) MAOACYP3A4ALDH1A1TDP1CA12
SCHEMBL3794874 0.82 MAOA (0.52) MAOACYP3A4ALDH1A1ALOX15TP53
SCHEMBL14065149 0.81 PNPLA2 (0.53) ALDH1A1ALOX15MAPK1TDP1PNPLA2

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 348/4885CYP3A4 177/4885ALDH1A1 4339/4885

“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.