SCHEMBL12401692

SCHEMBL12401692

Cc1ccc(N(C)C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
APP P05067 7/20 0.50
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL636392 0.81 TRPA1 (0.54) TRPA1APPTP53TDP1LMNA
SCHEMBL31158047 0.81 TRPA1 (0.54) TRPA1APPTP53TDP1LMNA
SCHEMBL6836569 0.79 CSNK2A1 (0.47) TRPA1TP53TDP1LMNACHRM1
SCHEMBL30966773 0.78 APP (0.52) APPALOX15HSD17B10EP300KAT2B
SCHEMBL11434258 0.78 APP (0.55) APPTP53TDP1LMNAALOX15
SCHEMBL5641724 0.77 ALDH1A1 (0.43) TRPA1TP53TDP1ALOX15ALDH1A1
SCHEMBL14524368 0.76 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL21147112 0.76 TRPA1 (0.43) TRPA1TP53TDP1LMNACHRM1
SCHEMBL1367532 0.75 TDP1 (0.44) TRPA1TP53TDP1ALOX15ALDH1A1
SCHEMBL15490156 0.74 TSHR (0.52) APPTP53TDP1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
US-9617225-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2017-04-11 US disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
US-7985519-B2 Aromatic polycarbonate, electrophotographic photoreceptor, and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-7985519-B2 Aromatic polycarbonate, electrophotographic photoreceptor, and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 US disclosed
US-20080199215-A1 AROMATIC POLYCARBONATE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMING APPARATUS SHARP KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
US-20080199215-A1 AROMATIC POLYCARBONATE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMING APPARATUS SHARP KABUSHIKI KAISHA (JP) 2008-08-21 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-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS DPYD, ABL1, BRD4 TRPA1 2102/4885APP 4549/4885TP53 135/4885
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY UMPS, DPYD, DUT TRPA1 4508/4885APP 4442/4885TP53 2711/4885

“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.