SCHEMBL224732

SCHEMBL224732

O=[C]c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP1A2 P05177 1/20 0.48
IDO1 P14902 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
YTHDC1 Q96MU7 1/20 0.43
MAP2K4 P45985 2/20 0.42
LRRK2 Q5S007 2/20 0.42
CCNA2 P20248 1/20 0.41

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
SCHEMBL1290531 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL2851022 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29733448 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL9951795 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL16303429 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL17887974 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL7982776 0.75 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL10689550 0.73 KDM4E (0.57) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL17886019 0.72 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL276724 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4CYP1A2

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 369 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
CN-110161141-A A kind of detection method of indazole derivative 公安部物证鉴定中心 2019-08-23 CN claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO claimed
US-20110071301-A1 ABETA-BINDING SMALL MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-24 US claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed
WO-2009059214-A1 ABETA-BINDING SMALL MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-07 WO claimed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
EP-1423119-A4 HETEROBICYCLES FKBP-LIGANDS AGOURON PHARMA (US) 2005-04-13 EP claimed
EP-1423119-A1 HETEROBICYCLES FKBP-LIGANDS Agouron Pharmaceuticals, Inc. (US) 2004-06-02 EP claimed
WO-2002089806-A1 HETEROBICYCLES FKBP-LIGANDS AGOURON PHARMACEUTICALS, INC. (US) 2002-11-14 WO claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (3 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD KDM4E 4142/4885GAA 2991/4885PDPK1 606/4885
US-20110071301-A1 ABETA-BINDING SMALL MOLECULES APP, APBA1, PSEN1 KDM4E 4662/4885GAA 392/4885PDPK1 3453/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD KDM4E 4142/4885GAA 2991/4885PDPK1 606/4885

“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.