SCHEMBL8108715

SCHEMBL8108715

CCOC(=O)c1nc(=O)c2c(F)c(F)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL688942 0.80 MMP13 (0.56) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL9936699 0.76 GAA (0.53) ALDH1A1HPGDGAARAB9ASMN1; SMN2
SCHEMBL1503884 0.74 ALDH1A1 (0.54) ALDH1A1HPGDGAACYP1A2CYP2C19
SCHEMBL6217615 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL29582392 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDGAAPOLB
SCHEMBL1368260 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDGAAPOLB
SCHEMBL5263368 0.71 KDM4E (0.50) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL689302 0.69 PARP1 (0.58) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8108086 0.68 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL23927507 0.68 HPGD (0.40) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 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 (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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 KDM4E 1710/4885ALDH1A1 944/4885HPGD 135/4885

“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.