SCHEMBL469618

SCHEMBL469618

N/C(CC(=O)Nc1ccccc1O)=N\O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 1.00
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 5/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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 0.83 KDM1A (0.71) KDM1AALDH1A1GAANPC1LMNA
SCHEMBL17993533 0.82 KDM1A (0.70) KDM1AALDH1A1GAANPC1LMNA
SCHEMBL469531 0.82 KDM1A (0.69) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL10138056 0.82 KDM1A (0.69) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL10138047 0.82 KDM1A (0.69) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL469623 0.82 KDM1A (0.69) KDM1ACYP1A2CYP3A4ALDH1A1NPC1
SCHEMBL469621 0.82 KDM1A (0.69) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL13416408 0.82 KDM1A (0.68) KDM1AALDH1A1GAANPC1LMNA
SCHEMBL469622 0.81 KDM1A (0.68) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL16478514 0.80 KDM1A (0.66) KDM1ACYP1A2CYP3A4ALDH1A1CYP2C19

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 6/4885CYP1A2 3999/4885CYP3A4 4628/4885

“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.