SCHEMBL3360184

SCHEMBL3360184

Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MITF O75030 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 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
SCHEMBL3358582 0.87 MITF (0.52) KMT2AMEN1MITFRAB9ASMN1; SMN2
SCHEMBL3843872 0.87 HPGD (0.64) KMT2AMEN1L3MBTL1LMNAMITF
SCHEMBL6940724 0.86 MEN1 (0.61) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL3848413 0.86 CA2 (0.50) KMT2AMEN1MITFRAB9ASMN1; SMN2
SCHEMBL6361646 0.85 HPGD (0.61) GAAKMT2AMEN1L3MBTL1LMNA
SCHEMBL3358491 0.84 MEN1 (0.55) GAAKMT2AMEN1LMNAMITF
SCHEMBL3844596 0.84 MEN1 (0.52) GAAKMT2AMEN1LMNAMITF
SCHEMBL3359400 0.84 HPGD (0.63) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL15726047 0.82 KMT2A (0.53) GAAKMT2AMEN1L3MBTL1LMNA
SCHEMBL2312343 0.82 MEN1 (0.58) KMT2AMEN1LMNAMITFSMN1; SMN2

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 5 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
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
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 GAA 1249/4885KMT2A 1774/4885MEN1 4669/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 GAA 1249/4885KMT2A 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.