SCHEMBL2319263

SCHEMBL2319263

Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.65
CYP3A4 P08684 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AKR1B1 P15121 1/20 0.51
CCR2 P41597 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL3843872 0.92 HPGD (0.64) HPGDCYP3A4CYP1A2CYP2C19AKR1B1
SCHEMBL3845094 0.88 MEN1 (0.53) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL17241872 0.88 NPC1 (0.58) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL3358389 0.87 KMT2A (0.59) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL3849935 0.85 CYP3A4 (0.50) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL7425506 0.84 CYP3A4 (0.49) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL7655824 0.84 HPGD (0.61) HPGDCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL17241662 0.84 HPGD (0.62) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL2312343 0.80 MEN1 (0.58) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL28782035 0.80 AKR1B1 (0.49) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1

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 6 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
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 HPGD 276/4885CYP3A4 422/4885CYP1A2 673/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 HPGD 276/4885CYP3A4 422/4885CYP1A2 673/4885

“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.