SCHEMBL3844596

SCHEMBL3844596

Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 4/20 0.49
RORC P51449 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 1/20 0.48
CCR2 P41597 1/20 0.48
TP53 P04637 1/20 0.47
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL6940041 0.93 MEN1 (0.54) MEN1KMT2AMAPTTHRBHPGD
SCHEMBL3358491 0.91 MEN1 (0.55) MEN1KMT2AMAPTHPGDRORC
SCHEMBL2312343 0.89 MEN1 (0.58) MEN1KMT2AMAPTHPGDRORC
SCHEMBL3843872 0.87 HPGD (0.64) MEN1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL6943232 0.84 MEN1 (0.50) MEN1KMT2AMAPTHPGDRORC
SCHEMBL3360184 0.84 GAA (0.56) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6944275 0.83 KMT2A (0.65) MEN1KMT2AHPGDRORCCYP1A2
SCHEMBL6939880 0.83 MEN1 (0.45) MEN1KMT2AMAPTTHRBHPGD
SCHEMBL8299247 0.83 PDE5A (0.53) MEN1KMT2AHPGDRORCLMNA
SCHEMBL6941580 0.83 HPGD (0.54) MEN1KMT2AMAPTHPGDRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101652353-A 3-hydrogen quinazoline-4-one derivatives as stearoyl coa desaturase inhibitors CV THERAPEUTICS INC US 2010-02-17 CN 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 MEN1 4669/4885KMT2A 1774/4885MAPT 4221/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MEN1 4669/4885KMT2A 1774/4885MAPT 4221/4885

“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.