SCHEMBL3986764

SCHEMBL3986764

COC(=O)c1c(O)c2cscc2[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PADI4 Q9UM07 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4703123 0.84 KDM5A (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13602070 0.82 KDM5A (0.57) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL3979968 0.81 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1622313 0.77 KDM4E (0.71) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30681958 0.77 KDM4E (0.71) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11375801 0.75 KMT2A (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6313673 0.72 GSK3B (0.56) MEN1KMT2AKDM4EALDH1A1
SCHEMBL8018550 0.72 MEN1 (0.64) MEN1KMT2AALDH1A1
SCHEMBL16651672 0.72 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30037913 0.72 MEN1 (0.64) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO disclosed
EP-1776369-A1 THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE Active Biotech AB (SE) 2007-04-25 EP disclosed
WO-2005123744-A1 THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE ACTIVE BIOTECH AB (SE) 2005-12-29 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 (2 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 MEN1 2345/4885KMT2A 4780/4885KDM4E 3718/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R MEN1 1210/4885KMT2A 914/4885KDM4E 728/4885

“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.