SCHEMBL1653154

SCHEMBL1653154

CCOC(=O)c1[nH]c2c(N)cccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL1254811 0.85 MCL1 (0.51) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL1252207 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL5685107 0.84 CA12 (0.54) ALDH1A1HSD17B10KDM4EHPGDRAB9A
SCHEMBL13684773 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDRAB9A
SCHEMBL4090248 0.83 CDK1 (0.57) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL4087088 0.83 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL1653834 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL6185787 0.82 MCL1 (0.62) ALDH1A1HSD17B10KDM4EHPGDRAB9A
SCHEMBL18943703 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL1252490 0.80 KDM4E (0.58) ALDH1A1HSD17B10KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 ALDH1A1 372/4885HSD17B10 377/4885KDM4E 1299/4885

“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.