SCHEMBL1965690

SCHEMBL1965690

O=C(O)c1cnn(-c2cn(Cc3cc(Cl)c(Cl)c(Cl)c3)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.44
ALKBH1 Q13686 1/20 0.43
HSD17B10 Q99714 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1986750 0.89 SCD (0.40) EGLN1ALKBH1
SCHEMBL1967024 0.85 ALDH1A1 (0.45) L3MBTL1
SCHEMBL1986109 0.80 SCD (0.48)
SCHEMBL1967187 0.77 CYP19A1 (0.38)
SCHEMBL1966799 0.77 ALDH1A1 (0.45) HSD17B10
SCHEMBL1966541 0.76 PDE3B (0.41)
SCHEMBL12563324 0.76 SCD (0.38) L3MBTL1
SCHEMBL12563328 0.72 SCD (0.47)
SCHEMBL1974270 0.69 SCD (0.66)
SCHEMBL2177885 0.69 SCD (0.48)

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 3 patents. 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
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 EGLN1 952/4885ALKBH1 1582/4885HSD17B10 43/4885

“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.