SCHEMBL10137740

SCHEMBL10137740

NC(=O)c1ccccc1NC(=O)C/C(N)=N/O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.71
KDM4E B2RXH2 6/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL469618 0.83 KDM1A (1.00) KDM1AKDM4EGAAALDH1A1NPC1
SCHEMBL10137741 0.83 KDM4E (0.64) KDM1AKDM4EGAAALDH1A1HPGD
SCHEMBL10138056 0.82 KDM1A (0.69) KDM1AKDM4EALDH1A1NPC1RAB9A
SCHEMBL469621 0.82 KDM1A (0.69) KDM1AALDH1A1POLB
SCHEMBL469623 0.82 KDM1A (0.69) KDM1AALDH1A1NPC1RAB9AHPGD
SCHEMBL469531 0.82 KDM1A (0.69) KDM1AGAAALDH1A1NPC1RAB9A
SCHEMBL10138047 0.82 KDM1A (0.69) KDM1AALDH1A1NPC1RAB9AHPGD
SCHEMBL14076193 0.82 KDM1A (0.57) KDM1AKDM4EGAAALDH1A1HPGD
SCHEMBL469622 0.81 KDM1A (0.68) KDM1AGAAALDH1A1KMT2ALMNA
SCHEMBL16478514 0.80 KDM1A (0.66) KDM1AGAAALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527805-B2 Small molecules as epigenetic modulators of lysine-specific demethylase 1 and methods of treating disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-27 US disclosed
US-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-01-09 US disclosed
WO-2012034116-A2 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-15 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 (1 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-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS KDM1B, DOT1L, EHMT1 KDM1A 6/4885KDM4E 27/4885GAA 742/4885

“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.