SCHEMBL632050

SCHEMBL632050

Cn1nc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.50
P4HTM Q9NXG6 1/20 0.49
KDM5A P29375 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
PKM P14618 1/20 0.48
PTGER1 P34995 4/20 0.47
CYP1A2 P05177 1/20 0.47
MCL1 Q07820 2/20 0.46
BCL2 P10415 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM5B Q9UGL1 1/20 0.45
SRD5A2 P31213 1/20 0.44
NR4A2 P43354 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL631596 0.87 HPGD (0.50) KDM5AKDM4CPKMMEN1KMT2A
SCHEMBL17011149 0.86 RAB9A (0.52) MDM2P4HTMKDM5AKDM4CPKM
SCHEMBL27970564 0.79 NPC1 (0.48) PTGER1CYP1A2MEN1KMT2A
SCHEMBL26003749 0.79 PTGER1 (0.51) MDM2PTGER1CYP1A2MCL1BCL2
SCHEMBL4689698 0.79 MDM2 (0.72) MDM2P4HTMPKMMCL1BCL2
SCHEMBL6834328 0.78 AKR1C2 (0.48) PTGER1CYP1A2MEN1KMT2A
SCHEMBL4757956 0.78 PKM (0.47) MDM2PKMMCL1BCL2MEN1
SCHEMBL31002325 0.78 KDM5A (0.52) KDM5AKDM4CPKMMEN1KMT2A
SCHEMBL15932199 0.78 MDM2 (0.43) MDM2P4HTMPKMPTGER1CYP1A2
SCHEMBL3086653 0.78 HTR2C (0.50) KDM5AKDM4CPKMMEN1KMT2A

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
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 MDM2 1639/4885P4HTM 1761/4885KDM5A 650/4885

“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.