SCHEMBL18014681

SCHEMBL18014681

Cc1cc(F)c2c(c1)c(NCCO)cn2C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
RECQL P46063 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PCSK9 Q8NBP7 3/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL16620090 0.83 KDM4E (0.34) KDM4ERECQLPCSK9
SCHEMBL16727203 0.72 TP53 (0.33)
SCHEMBL18014683 0.66 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL15292156 0.65 KDM4E (0.44) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL111335 0.63 KDM4E (0.41) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL9070350 0.63 MEN1 (0.39) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL5187258 0.63 THRB (0.50) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL4863544 0.63 THRB (0.55) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL18589183 0.60 MAPK1 (0.42) CYP2C19KDM4EHSD17B10ALDH1A1GAA
SCHEMBL22996779 0.60 ALDH1A1 (0.43) KDM4EALDH1A1GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CYP2C19 388/4885KDM4E 2364/4885HSD17B10 1658/4885

“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.