SCHEMBL2312966

SCHEMBL2312966

O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.59
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 10/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 7/20 0.57
MAPK1 P28482 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 4/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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 0.91 SCD (0.59) SCDKMT2AMEN1MAPTLMNA
SCHEMBL2317452 0.90 MAPT (0.71) KMT2AMEN1MAPTLMNATDP1
SCHEMBL2312156 0.85 MAPT (0.60) KMT2AMEN1MAPTLMNATDP1
SCHEMBL2312673 0.84 ALDH1A1 (0.60) KMT2AMEN1MAPTLMNATDP1
SCHEMBL2318753 0.81 SCD (0.54) SCDKMT2AMEN1MAPTLMNA
SCHEMBL2317979 0.81 L3MBTL1 (0.51) SCDKMT2AMEN1MAPTLMNA
SCHEMBL2312640 0.81 SCD (0.63) SCDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL3087107 0.81 SCD (0.63) SCDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL3421426 0.81 SCD (0.59) SCDLMNATDP1ALDH1A1MAPK1
SCHEMBL2319308 0.80 MEN1 (0.61) SCDKMT2AMEN1MAPTLMNA

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 1/4885KMT2A 1774/4885MEN1 4669/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885KMT2A 1774/4885MEN1 4669/4885

“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.