SCHEMBL5115615

SCHEMBL5115615

O=c1[nH]c(=O)n(Cc2ccccc2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.67
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
DAO P14920 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIK5 Q16478 1/20 0.50
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL11315735 0.98 HPGD (0.65) HPGDMEN1KMT2ADAOKDM4E
Hydrogen Sulfide SCHEMBL27583640 0.98 HPGD (0.65) HPGDMEN1KMT2ADAOKDM4E
SCHEMBL22085424 0.85 HPGD (0.49) HPGDMEN1KMT2AKDM4ECYP1A2
SCHEMBL21724684 0.84 KDM4E (0.48) HPGDMEN1KMT2AKDM4ECYP1A2
SCHEMBL14826582 0.84 HPGD (0.59) HPGD
SCHEMBL19236689 0.84 KDM4E (0.48) HPGDKMT2AKDM4ECYP1A2GRIA1
SCHEMBL6719842 0.81 ALDH1A1 (0.52) HPGDKMT2ADAOKDM4ECYP1A2
SCHEMBL22034371 0.80 KDM4E (0.45) HPGDKMT2AKDM4ECYP1A2GRIA1
SCHEMBL24495513 0.80 DAO (0.72) HPGDMEN1KMT2ADAOMAPK1
SCHEMBL3996660 0.80 HPGD (1.00) HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3977130-B1 METHODS FOR MODULATING A TREATMENT REGIMEN INST NAT SANTE RECH MED (FR) 2024-07-24 EP disclosed
US-20220236276-A1 METHODS FOR MODULATING A TREATMENT REGIMEN UNIVERSITÉ PARIS CITÉ (FR) 2022-07-28 US disclosed
US-20220160718-A1 COMPOSITIONS AND METHODS OF TREATING CANCER BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
EP-3977130-A1 METHODS FOR MODULATING A TREATMENT REGIMEN Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-04-06 EP disclosed
US-20220041627-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-02-10 US disclosed
EP-3890742-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF University of Maryland, Baltimore (US) 2021-10-13 EP disclosed
WO-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 WO disclosed
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 US disclosed
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 US disclosed
US-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 US disclosed
US-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 US disclosed
US-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 US disclosed
EP-1655288-A1 Aryl pyrimidyl compounds, pharmaceutical compositions comprising them, their use as antimicrobial agents INSTITUT PASTEUR (FR) 2006-05-10 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 (4 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-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents TPMT, DHFR, TYMP HPGD 327/4885MEN1 4142/4885KMT2A 4090/4885
US-20220160718-A1 COMPOSITIONS AND METHODS OF TREATING CANCER CCR2, CCR5, CXCR3 HPGD 1069/4885MEN1 4320/4885KMT2A 1167/4885
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS DDT, DPYD, DNPEP HPGD 298/4885MEN1 436/4885KMT2A 2020/4885
US-20220041627-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF ENPP2, PAICS, TPMT HPGD 238/4885MEN1 297/4885KMT2A 1221/4885

“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.