SCHEMBL7653596

SCHEMBL7653596

COC(=O)c1ccc(C(C)n2c(=O)[nH]c3ccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)cc3c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
EPHX2 P34913 3/20 0.46
NR1H4 Q96RI1 1/20 0.46
B3GNT2 Q9NY97 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
GAA P10253 2/20 0.44
HTR2C P28335 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6218995 0.92 MEN1 (0.54) B3GNT2ALDH1A1CYP2C9SMN1; SMN2MEN1
SCHEMBL6231298 0.91 RXFP1 (0.50) B3GNT2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7017776 0.90 PPARA (0.47) TRPV1EPHX2NR1H4B3GNT2ALDH1A1
SCHEMBL7021536 0.87 B3GNT2 (0.45) EPHX2NR1H4B3GNT2ALDH1A1SMN1; SMN2
SCHEMBL6233923 0.86 NAMPT (0.46) B3GNT2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6239501 0.85 MEN1 (0.56) NR1H4B3GNT2ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL7624469 0.85 MEN1 (0.50) B3GNT2ALDH1A1CYP2C9SMN1; SMN2MEN1
SCHEMBL6237603 0.84 MMP13 (0.50) ALDH1A1HPGDCYP2C9CYP2D6MEN1
SCHEMBL6234083 0.84 MEN1 (0.53) B3GNT2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6466931 0.83 MEN1 (0.54) B3GNT2ALDH1A1CYP2C9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (1 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 TRPV1 4074/4885EPHX2 1678/4885NR1H4 2332/4885

“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.