SCHEMBL7476316

SCHEMBL7476316

CC(CO)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.48
NMBR P28336 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TRPA1 O75762 2/20 0.35

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
SCHEMBL5689085 0.87 SIRT2 (0.48) SIRT2NMBRCYP11B1CYP11B2CPB1
SCHEMBL12662604 0.84 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2CPB1
SCHEMBL2033093 0.84 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2CPB1
SCHEMBL27015285 0.83 SIRT2 (0.52) SIRT2NMBRCPB1CPB2
SCHEMBL1997674 0.83 SIRT2 (0.52) SIRT2NMBRCPB1CPB2
SCHEMBL1342 0.82 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL23278626 0.81 SIRT2 (0.43) SIRT2NMBRCYP11B1CYP11B2CPB1
SCHEMBL4904608 0.81 SIRT2 (0.45) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL222977 0.81 SIRT2 (0.44) SIRT2NMBRCYP11B1CYP11B2
SCHEMBL6771514 0.80 SIRT2 (0.44) SIRT2NMBRCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
US-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives KJAERSGAARD HANS JOERGEN (DK) 2001-11-29 US disclosed
WO-2001081317-A1 CHIRAL IMIDAZOYL INTERMEDIATES FOR THE SYNTHESIS OF 2-(4-IMIDAZOYL)-CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 2001-11-01 WO disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 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-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives HRH4, HRH2, HRH1 SIRT2 2591/4885NMBR 582/4885CYP11B1 3958/4885

“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.