SCHEMBL2314932

SCHEMBL2314932

O=C(O)c1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.66
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP13 P45452 4/20 0.51
SLC2A1 P11166 1/20 0.50
PDE5A O76074 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL2316656 0.91 SCD (0.66) SCDMMP13
SCHEMBL2313385 0.90 SCD (0.64) SCDMAPK1SMN1; SMN2MMP13SLC2A1
SCHEMBL2314504 0.87 SCD (0.64) SCDMAPK1SMN1; SMN2MMP13SLC2A1
SCHEMBL2315445 0.86 SCD (0.63) SCDMMP13SLC2A1PPARG
SCHEMBL2314293 0.85 MMP13 (0.61) SCDMMP13SLC2A1PPARG
SCHEMBL8038655 0.84 PPARG (0.64) SCDHDAC6PPARG
SCHEMBL2316920 0.84 SCD (0.63) SCDMMP13SLC2A1HDAC6PPARG
SCHEMBL2314691 0.82 SCD (0.61) SCDMMP13SLC2A1HDAC6PPARG
SCHEMBL3087107 0.82 SCD (0.63) SCDMAPK1SMN1; SMN2PDE5AHDAC6
SCHEMBL2312640 0.82 SCD (0.63) SCDMAPK1SMN1; SMN2PDE5AHDAC6

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
EP-2350029-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-08-03 EP disclosed
WO-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO disclosed
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 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-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885MAPK1 2689/4885SMN1; SMN2 3593/4885

“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.