SCHEMBL14225501

SCHEMBL14225501

CC(=O)OCc1nc(C(C)=O)[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 3/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ELANE P08246 1/20 0.31
NPC1 O15118 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CA2 P00918 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14327220 0.87 ALDH1A1 (0.31) ALDH1A1KDM4EMAPK1HPGDHTT
SCHEMBL14225503 0.79 KDM4E (0.42) ALDH1A1KDM4ENPC1POLBGAA
SCHEMBL14239801 0.76 ALDH1A1 (0.35) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL2111888 0.71 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL2825455 0.70 HCAR2 (0.38) ALDH1A1HSD17B10KDM4ELMNAMAPK1
SCHEMBL13721978 0.69 SMN1; SMN2 (0.38) CYP1A2ALDH1A1HSD17B10KDM4EGAA
SCHEMBL12888807 0.68 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL3433839 0.67 ALDH1A1 (0.35) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL13174401 0.66 CYP3A4 (0.33) CYP1A2ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL22746519 0.66 ALDH1A1 (0.43) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 US disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 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-20120316170-A1 Imidazole Derivative S1PR2, S1PR1, SPHK2 CYP1A2 1239/4885CYP2C19 380/4885ALDH1A1 1568/4885

“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.