SCHEMBL1985654

SCHEMBL1985654

O=C(O)CC1(c2cnc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)s2)N=NNN1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.35
SCD O00767 1/20 0.33
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32

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 0.72 SCD (0.41) EGLN1SCDMEN1CASP3KMT2A
SCHEMBL1990584 0.70 CD74 (0.41) EGLN1SCD
SCHEMBL1985655 0.70 SCD (0.51) SCD
SCHEMBL1970393 0.68 MAPT (0.41) EGLN1
SCHEMBL1978454 0.67 KDM4E (0.40) EGLN1SCDMEN1CASP3KMT2A
SCHEMBL1969887 0.66 GSK3B (0.36) EGLN1
SCHEMBL1986297 0.65 SCD (0.41) EGLN1SCDMEN1CASP3KMT2A
SCHEMBL2178963 0.65 SCD (0.39) EGLN1SCDKDM4AKDM5CKDM4C
SCHEMBL2179985 0.63 MAPT (0.39) EGLN1SCD
SCHEMBL2177486 0.62 EGLN1 (0.42) EGLN1

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 EGLN1 952/4885SCD 1/4885MEN1 4525/4885

“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.