SCHEMBL1934840

SCHEMBL1934840

CN(CC(=O)NN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
CTSD P07339 1/20 0.41
KDM5C P41229 1/20 0.41
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
AOC3 Q16853 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26887000 0.81 CTSD (0.41) KDM4EPHF8KDM2ACTSDKDM5C
SCHEMBL15285558 0.77 KDM4E (0.48) KDM4EPHF8KDM2ACTSDKDM5C
SCHEMBL154159 0.77
Hydrochloric Acid SCHEMBL3991034 0.75
Hydrochloric Acid SCHEMBL9200108 0.75 CTSD (0.44) KDM4EPHF8KDM2ACTSDKDM5C
SCHEMBL15055114 0.74 PHF8 (0.46) KDM4EPHF8KDM2AKDM5CNPC1
SCHEMBL3651890 0.72
SCHEMBL11831188 0.71
SCHEMBL4162171 0.71 HDAC6 (0.33) CTSD
SCHEMBL1935269 0.71 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2RAB9A

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
WO-2013093931-A2 NOVEL PRODRUGS OF PHENOLIC DRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-27 WO claimed
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
EP-4185570-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
WO-2013093931-A2 NOVEL PRODRUGS OF PHENOLIC DRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-27 WO disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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 (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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 KDM4E 2469/4885PHF8 4488/4885KDM2A 3833/4885
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA KDM4E 2460/4885PHF8 779/4885KDM2A 2865/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KDM4E 2806/4885PHF8 2578/4885KDM2A 2336/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KDM4E 2968/4885PHF8 3226/4885KDM2A 2708/4885

“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.