SCHEMBL882667

SCHEMBL882667

CC(=O)c1cc(C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KMO O15229 6/20 0.35
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP13 P45452 2/20 0.33
SORT1 Q99523 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
HTT P42858 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL16285902 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2KMOMMP13
SCHEMBL1671322 0.82 KMO (0.50) ALDH1A1SMN1; SMN2KMOMAPT
SCHEMBL882676 0.80 KMO (0.38) ALDH1A1L3MBTL1SMN1; SMN2KMOMAPT
SCHEMBL8148229 0.80 SIRT6 (0.41) L3MBTL1KMOHTT
SCHEMBL24713180 0.80 KMO (0.36) ALDH1A1L3MBTL1SMN1; SMN2KMOMAPK1
SCHEMBL24184895 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KMOMMP13
Potassium Ion SCHEMBL4365217 0.78 KMO (0.33) ALDH1A1L3MBTL1KMOMAPK1ALOX15
SCHEMBL17132794 0.77 KMO (0.50) ALDH1A1SMN1; SMN2KMOMAPT
SCHEMBL6884437 0.77 BAZ2B (0.46) ALDH1A1L3MBTL1SMN1; SMN2MAPK1ALOX15
SCHEMBL14872318 0.77 CLK4 (0.35) ALDH1A1L3MBTL1KMOMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167489-B1 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 ALDH1A1 1154/4885L3MBTL1 1422/4885SMN1; SMN2 4778/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ALDH1A1 1469/4885L3MBTL1 3677/4885SMN1; SMN2 2836/4885

“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.