SCHEMBL3784787

SCHEMBL3784787

CN(C)C(=O)c1cc(Cl)cc(C(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACLY P53396 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 2/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
GFER P55789 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL1004039 0.95 TPMT (0.52) TPMTALDH1A1HPGDSMN1; SMN2ACLY
SCHEMBL12221612 0.87 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL9926497 0.87 ALDH1A1 (0.41) TPMTALDH1A1HPGDSMN1; SMN2ACLY
SCHEMBL2073770 0.82 PDE3B (0.39) TPMTALDH1A1HPGDSMN1; SMN2ACLY
SCHEMBL12852625 0.82 SLC6A2 (0.37) TPMTALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL20888385 0.81 ALDH1A1 (0.38) TPMTALDH1A1HPGDSMN1; SMN2ACLY
SCHEMBL4330116 0.79 ALDH1A1 (0.38) TPMTALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL30149977 0.79 PKM (0.58) ALDH1A1HPGDSMN1; SMN2PKMHTT
SCHEMBL254975 0.79 PKM (0.58) ALDH1A1HPGDSMN1; SMN2PKMHTT
SCHEMBL30149976 0.79 PKM (0.58) ALDH1A1HPGDSMN1; SMN2PKMHTT

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 TPMT 2603/4885ALDH1A1 4339/4885HPGD 2790/4885

“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.