SCHEMBL9534762

SCHEMBL9534762

C1CNCN1.C1CNNC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL7565118 0.93 CXCR4 (0.50) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL28281040 0.89 CXCR4 (0.44) CXCR4SMN1; SMN2
SCHEMBL11019863 0.84 CXCR4 (0.67) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL28322579 0.84 CXCR4 (0.67) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL27866208 0.83 ALDH1A1 (0.47) CXCR4SMN1; SMN2
SCHEMBL14576195 0.81
SCHEMBL27866214 0.81 ALDH1A1 (0.44) CXCR4SMN1; SMN2
SCHEMBL1003923 0.80 CXCR4 (0.75) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL8198989 0.80 CXCR4 (0.75) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL472205 0.80 CXCR4 (0.75) CXCR4SMN1; SMN2HIF1AMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945787-B2 Substituted imidazoles for preventing and/or treating cell or tissue necrosis Ela Pharma Ltd (IL) 2024-04-02 US disclosed
EP-4005569-A2 COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO ELA Pharma Ltd (IL) 2022-06-01 EP disclosed
US-20210309620-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO Ela Pharma Ltd (IL) 2021-10-07 US disclosed
US-10968185-B2 Substituted thiazoles for preventing and/or treating cell or tissue necrosis ELA PHARMA LTD. (IL) 2021-04-06 US disclosed
US-20180312477-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO Ela Pharma Ltd (IL) 2018-11-01 US disclosed
CN-104718188-B The benzamides of N- substitutions and its purposes in treating pain 基因泰克公司 2018-08-21 CN disclosed
EP-3280401-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO ELA Pharma Ltd (IL) 2018-02-14 EP disclosed
WO-2016162870-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO NATHAN ILANA (IL) 2016-10-13 WO disclosed
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 CN disclosed
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 EP disclosed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 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-10968185-B2 Substituted thiazoles for preventing and/or treating cell or tissue necrosis CELA1, CTSV, CTSA CXCR4 795/4885SMN1; SMN2 3342/4885HIF1A 2283/4885
US-20180312477-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO CELA1, CTSG, CTSE CXCR4 893/4885SMN1; SMN2 3741/4885HIF1A 763/4885
US-11945787-B2 Substituted imidazoles for preventing and/or treating cell or tissue necrosis CELA1, CTSA, CPA1 CXCR4 1181/4885SMN1; SMN2 3724/4885HIF1A 833/4885
US-20210309620-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO CTSA, CTSG, CELA1 CXCR4 794/4885SMN1; SMN2 3451/4885HIF1A 656/4885

“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.