SCHEMBL3358491

SCHEMBL3358491

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RORC P51449 4/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CCR2 P41597 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MITF O75030 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 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
SCHEMBL3844596 0.91 MEN1 (0.52) MEN1KMT2ARORCLMNAMAPT
SCHEMBL2312343 0.89 MEN1 (0.58) MEN1KMT2ARORCLMNAMAPT
SCHEMBL3843872 0.84 HPGD (0.64) MEN1KMT2ALMNAHPGDCYP1A2
SCHEMBL3360184 0.84 GAA (0.56) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL6940041 0.83 MEN1 (0.54) MEN1KMT2ARORCLMNAMAPT
SCHEMBL6941580 0.83 HPGD (0.54) MEN1KMT2ARORCLMNAMAPT
SCHEMBL3845094 0.82 MEN1 (0.53) MEN1KMT2ARORCLMNAMAPT
SCHEMBL3849935 0.82 CYP3A4 (0.50) MAPTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6944275 0.81 KMT2A (0.65) MEN1KMT2ARORCLMNAHPGD
SCHEMBL8299247 0.81 PDE5A (0.53) MEN1KMT2ARORCLMNAHPGD

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-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 MEN1 4669/4885KMT2A 1774/4885RORC 1024/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MEN1 4669/4885KMT2A 1774/4885RORC 1024/4885

“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.