SCHEMBL3849935

SCHEMBL3849935

Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR3 Q99500 2/20 0.48
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
AKR1B1 P15121 2/20 0.44
MET P08581 1/20 0.44
CA2 P00918 1/20 0.44
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2319263 0.85 HPGD (0.65) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL28782035 0.85 AKR1B1 (0.49) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL3845094 0.83 MEN1 (0.53) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL3844596 0.82 MEN1 (0.52) CYP3A4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3358491 0.82 MEN1 (0.55) CYP3A4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3358389 0.82 KMT2A (0.59) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL3360184 0.80 GAA (0.56) CYP3A4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7425506 0.80 CYP3A4 (0.49) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL7655824 0.80 HPGD (0.61) CYP3A4ALDH1A1ALOX15TDP1HPGD
SCHEMBL3843872 0.78 HPGD (0.64) CYP3A4HPGDCYP1A2CYP2C19AKR1B1

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 2 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 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 CYP3A4 422/4885ALDH1A1 994/4885ALOX15 194/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 CYP3A4 422/4885ALDH1A1 994/4885ALOX15 194/4885

“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.