SCHEMBL16678646

SCHEMBL16678646

CCOC(=O)c1c(Oc2ccc(F)cc2)nc2ncccn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 4/20 0.41
POLB P06746 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL16678810 0.84 GPBAR1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14881862 0.83 GPBAR1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL16678460 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30919489 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL14881994 0.76 GPBAR1 (0.59) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL16678442 0.76 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL14881812 0.76 GPBAR1 (0.71) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL14881800 0.76 GPBAR1 (0.71) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL14881510 0.76 GPBAR1 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31415205 0.75 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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-20150126530-A1 Novel Substituted Imidazopyrimidines as Gpbar1 Receptor Modulators TORRENT PHARMACEUTICALS LIMITED (IN) 2015-05-07 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-20150126530-A1 Novel Substituted Imidazopyrimidines as Gpbar1 Receptor Modulators GPBAR1, GPER1, GPR55 ALDH1A1 378/4885KDM4E 4550/4885HPGD 1377/4885

“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.