SCHEMBL3848413

SCHEMBL3848413

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
MITF O75030 1/20 0.49
SORT1 Q99523 1/20 0.48
P2RX1 P51575 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
CCR1 P32246 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LSS P48449 1/20 0.46
PPARA Q07869 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2711364 0.88 KMT2A (0.61) CA2SMN1; SMN2PPARAMEN1KMT2A
SCHEMBL3853133 0.87 CCR1 (0.62) CCR1ATG4BRAB9AMEN1KMT2A
SCHEMBL3360184 0.86 GAA (0.56) CA2MITFSMN1; SMN2RAB9AMEN1
SCHEMBL5975940 0.85 PPARA (0.66) PPARAMEN1KMT2A
SCHEMBL3843872 0.84 HPGD (0.64) CA2MITFMEN1KMT2ACYP1A2
SCHEMBL3358582 0.84 MITF (0.52) CA2MITFSMN1; SMN2RAB9AMEN1
SCHEMBL6940724 0.83 MEN1 (0.61) SMN1; SMN2RAB9AMEN1KMT2ACYP1A2
SCHEMBL6941380 0.81 MAPT (0.56) CCR1SMN1; SMN2KMT2A
SCHEMBL3359400 0.81 HPGD (0.63) SMN1; SMN2RAB9AMEN1KMT2AHPGD
SCHEMBL3577180 0.79 KDM4E (0.68) SORT1P2RX1LSSKMT2ACYP1A2

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 CA2 3919/4885MITF 4428/4885SORT1 3752/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 CA2 3919/4885MITF 4428/4885SORT1 3752/4885

“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.