SCHEMBL2314992

SCHEMBL2314992

O=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)OCc1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.82
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
ENPP2 Q13822 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
SCHEMBL2313190 0.91 SCD (1.00) SCDMAPT
SCHEMBL2314846 0.90 SCD (0.85) SCDMEN1ALDH1A1LMNAMAPT
SCHEMBL2313808 0.86 SCD (0.64) SCDMEN1ALDH1A1LMNAMAPT
SCHEMBL2317169 0.86 SCD (0.73) SCDMEN1ALDH1A1LMNAMAPT
SCHEMBL2314887 0.86 SCD (0.81) SCDMAPT
SCHEMBL2314193 0.85 SCD (0.79) SCD
SCHEMBL2311713 0.84 SCD (0.61) SCDMEN1ALDH1A1LMNAMAPT
SCHEMBL2318585 0.84 SCD (0.84) SCDMAPT
SCHEMBL2316986 0.84 SCD (0.86) SCDMEN1ALDH1A1LMNAMAPT
SCHEMBL3345815 0.83 SCD (0.80) SCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US claimed
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 US claimed
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
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
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

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 1/4885MEN1 4669/4885ALDH1A1 994/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885MEN1 4669/4885ALDH1A1 994/4885

“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.