SCHEMBL1316697

SCHEMBL1316697

CCOc1cc(Cl)c(N)c(C(=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.42
KDM4E B2RXH2 3/20 0.40
PKM P14618 2/20 0.40
RCE1 Q9Y256 1/20 0.40
S1PR4 O95977 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL1315672 0.85 PRKAB2 (0.40) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL11023739 0.79 NQO2 (0.48) NQO2KDM4EPKMRCE1S1PR4
SCHEMBL30544220 0.79 NQO2 (0.48) NQO2KDM4EPKMRCE1S1PR4
SCHEMBL13843652 0.76 NQO2 (0.41) NQO2KDM4EPKMRCE1S1PR4
SCHEMBL1315299 0.75 MAPK8 (0.43) KDM4EPKMNPSR1ALDH1A1SMN1; SMN2
SCHEMBL1315093 0.74 CHRM4 (0.40) NQO2KDM4EPKMRCE1NPSR1
SCHEMBL12113616 0.73 NPC1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL1145385 0.73 NQO2 (0.46) NQO2KDM4EPKMALDH1A1GAA
SCHEMBL13556488 0.72 ALDH1A1 (0.42) NQO2KDM4EALDH1A1MRGPRX4HSD17B10
SCHEMBL1505584 0.72 MRGPRX4 (0.40) NQO2KDM4EALDH1A1MRGPRX4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 NQO2 442/4885KDM4E 1611/4885PKM 2057/4885

“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.