SCHEMBL3421426

SCHEMBL3421426

O=c1c2cc([N+](=O)[O-])cnc2ncn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
FSCN1 Q16658 4/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2314629 0.83 SCD (0.59) SCDSMN1; SMN2MAPK1LMNATDP1
SCHEMBL3843880 0.81 SCD (0.64) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL2312966 0.81 SCD (0.59) SCDSMN1; SMN2MAPK1LMNAHTT
SCHEMBL2317199 0.74 SCD (1.00) SCDSMN1; SMN2MAPK1FSCN1
SCHEMBL2318753 0.74 SCD (0.54) SCDMAPK1LMNATDP1ALDH1A1
SCHEMBL2317979 0.74 L3MBTL1 (0.51) SCDMAPK1LMNATDP1ALDH1A1
SCHEMBL14015402 0.74 CCR2 (0.51) SMN1; SMN2MAPK1HTTTDP1CCR2
SCHEMBL2319308 0.72 MEN1 (0.61) SCDMAPK1LMNATDP1ALDH1A1
SCHEMBL13651719 0.72 CCR2 (0.44) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL14048851 0.71 SCD (0.60) SCDSMN1; SMN2MAPK1FSCN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155695-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2010-02-24 EP 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-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US 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
WO-2008127615-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS INC (US) 2008-10-23 WO disclosed
WO-2008127615-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS INC (US) 2008-10-23 WO 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
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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.