SCHEMBL2312640

SCHEMBL2312640

Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
PDE5A O76074 1/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
UBE2N P61088 1/20 0.51
FSCN1 Q16658 3/20 0.48
HDAC6 Q9UBN7 1/20 0.47
TNF P01375 1/20 0.47

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
SCHEMBL2315711 0.90 SCD (0.63) SCDSMN1; SMN2MAPK1LMNAHTT
SCHEMBL2318142 0.88 PDE5A (0.59) SCDSMN1; SMN2MAPK1PDE5ALMNA
SCHEMBL3087107 0.85 SCD (0.63) SCDSMN1; SMN2MAPK1PDE5ALMNA
SCHEMBL2314971 0.84 MMP13 (0.56) SCDSMN1; SMN2MAPK1PDE5AHTT
SCHEMBL2313385 0.83 SCD (0.64) SCDSMN1; SMN2MAPK1PDE5AHDAC6
SCHEMBL14048851 0.83 SCD (0.60) SCDSMN1; SMN2MAPK1HTTFSCN1
SCHEMBL2315109 0.82 PDE5A (0.50) SCDPDE5AHDAC6TNF
SCHEMBL2314932 0.82 SCD (0.66) SCDSMN1; SMN2MAPK1PDE5AHDAC6
SCHEMBL2312966 0.81 SCD (0.59) SCDSMN1; SMN2MAPK1LMNAHTT
SCHEMBL2319334 0.80 SCD (0.52) 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 4 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
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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 (2 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-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885SMN1; SMN2 3593/4885MAPK1 2689/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885SMN1; SMN2 3593/4885MAPK1 2689/4885

“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.