SCHEMBL12413880

SCHEMBL12413880

CNC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.78
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
RAB9A P51151 2/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 2/20 0.58
TRPV1 Q8NER1 1/20 0.57
MTOR P42345 2/20 0.57
BAZ1A Q9NRL2 1/20 0.57
KIF11 P52732 1/20 0.56
TGM2 P21980 1/20 0.56
NPC1 O15118 1/20 0.56
RORC P51449 1/20 0.56

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
SCHEMBL28729179 0.88 EPHX2 (1.00) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL11003408 0.88 EPHX2 (1.00) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL10155599 0.83 ALDH1A1 (0.78) EPHX2MAPTKMT2ARAB9AALDH1A1
SCHEMBL16946637 0.83 EPHX2 (0.81) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL10201044 0.82 NPC1 (0.68) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL12491371 0.82 EPHX2 (0.81) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL19204183 0.82 SMN1; SMN2 (0.54) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL15946352 0.81 EPHX2 (0.72) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL7951394 0.81 MAPT (1.00) EPHX2MAPTKMT2AMEN1RAB9A
SCHEMBL5742980 0.81 EPHX2 (0.78) EPHX2MAPTKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022003712-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-01-06 WO disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 EPHX2 3999/4885MAPT 1151/4885KMT2A 4199/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 EPHX2 4199/4885MAPT 4853/4885KMT2A 4563/4885

“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.