SCHEMBL3934286

SCHEMBL3934286

CNC(=O)c1cc(C)cc(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
RAF1 P04049 3/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
TPMT P51580 1/20 0.38
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRC P12931 1/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.35
PLK1 P53350 3/20 0.35
UNG P13051 1/20 0.35

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
SCHEMBL16348552 0.88 HDAC8 (0.47) MMP13RAF1HDAC8HDAC6HDAC2
SCHEMBL15652991 0.87 RAB9A (0.53) MMP13HDAC6SMN1; SMN2ALDH1A1GAA
SCHEMBL1003295 0.82 TPMT (0.54) MMP13HDAC8HDAC6HDAC2TPMT
SCHEMBL15492141 0.82 HDAC8 (0.52) MMP13HDAC8HDAC6HDAC2TPMT
SCHEMBL29955607 0.81 CA12 (0.42) MMP13RAF1HDAC8HDAC6HDAC2
Hydrochloric Acid SCHEMBL21438790 0.80 TPMT (0.52) MMP13HDAC8HDAC6HDAC2TPMT
SCHEMBL3929159 0.80 AKR1C3 (0.49)
SCHEMBL3929163 0.80 AKR1C3 (0.49)
SCHEMBL8375824 0.79 TPMT (0.41) TPMTSMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL1174923 0.79 TPMT (0.64) TPMTHPGDHTTSMN1; SMN2ALDH1A1

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MMP13 2539/4885RAF1 2238/4885HDAC8 1023/4885

“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.