SCHEMBL1990584

SCHEMBL1990584

COC(=O)c1cnc(-c2cn(Cc3cc(Cl)c(Cl)c(Cl)c3)nn2)s1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
SCD O00767 1/20 0.40
CDC7 O00311 1/20 0.39
NLRP3 Q96P20 2/20 0.39
MAPT P10636 1/20 0.39
EGLN1 Q9GZT9 3/20 0.38

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
SCHEMBL1987880 0.86 SCD (0.41) SCDMAPTEGLN1
SCHEMBL1970393 0.75 MAPT (0.41) MAPTEGLN1
SCHEMBL3655678 0.73 EGLN1 (0.45) SCDMAPTEGLN1
SCHEMBL1978454 0.73 KDM4E (0.40) SCDMAPTEGLN1
SCHEMBL1985655 0.73 SCD (0.51) SCD
SCHEMBL2179985 0.69 MAPT (0.39) SCDMAPTEGLN1
SCHEMBL1965978 0.69 CD74 (0.42) CD74MIFNLRP3
SCHEMBL1986297 0.69 SCD (0.41) SCDEGLN1
SCHEMBL1965913 0.69 ALDH1A1 (0.70) SCD
SCHEMBL2177885 0.69 SCD (0.48) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 CD74 2008/4885MIF 2873/4885SCD 1/4885

“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.