SCHEMBL469609

SCHEMBL469609

N/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.66
ALDH1A1 P00352 9/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
SOAT1 P35610 2/20 0.52
RAB9A P51151 2/20 0.52
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 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
SCHEMBL10137740 0.80 KDM1A (0.71) KDM1AALDH1A1LMNARAB9AKDM4E
SCHEMBL469618 0.80 KDM1A (1.00) KDM1AALDH1A1LMNAMAPTHTT
SCHEMBL789303 0.79 MAPT (0.62) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL28701426 0.79 MAPT (0.67) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL469599 0.79 KDM1A (1.00) KDM1AALDH1A1LMNAMAPTHTT
SCHEMBL4082544 0.78 ALDH1A1 (0.61) ALDH1A1MAPTHTTL3MBTL1SIGMAR1
SCHEMBL469621 0.78 KDM1A (0.69) KDM1AALDH1A1
SCHEMBL469623 0.78 KDM1A (0.69) KDM1AALDH1A1LMNAMAPTSIGMAR1
SCHEMBL469531 0.78 KDM1A (0.69) KDM1AALDH1A1MAPTHTTL3MBTL1
SCHEMBL10138047 0.78 KDM1A (0.69) KDM1AALDH1A1LMNAHTTL3MBTL1

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 6/4885ALDH1A1 1115/4885LMNA 1818/4885

“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.