SCHEMBL4324072

SCHEMBL4324072

CC(=O)Oc1ccc(N)cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 5/20 0.62
USP2 O75604 1/20 0.62
MAOB P27338 1/20 0.47
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 1/20 0.41
CFD P00746 2/20 0.40
CYP19A1 P11511 1/20 0.40
S1PR1 P21453 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
CUL4A Q13619 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 3/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL4324068 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2MAOBGAA
SCHEMBL4595417 0.81 MAOB (0.48) ALDH1A1KDM4EMAOBGAATSHR
SCHEMBL6175873 0.80 MAOB (0.47) ALDH1A1KDM4EMAOBGAATSHR
SCHEMBL1667669 0.80 CFD (0.47) ALDH1A1KDM4EUSP2MAOBGAA
SCHEMBL16421474 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAOBGAATSHR
SCHEMBL6247630 0.78 TSHR (0.58) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL13946931 0.78 MAOB (0.45) ALDH1A1KDM4EMAOBGAATSHR
SCHEMBL3817177 0.77 KDM4E (1.00) ALDH1A1KDM4EUSP2MAOBGAA
SCHEMBL31184679 0.77 KDM4E (1.00) ALDH1A1KDM4EUSP2MAOBGAA
SCHEMBL987450 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2GAATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
US-20060247273-A1 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1666478-A1 CARBAMOYL-TYPE BENZOFURAN DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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-20060247273-A1 Carbamoyl-type benzofuran derivatives F12, F2, F3 ALDH1A1 1153/4885KDM4E 204/4885USP2 3821/4885

“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.