SCHEMBL469599

SCHEMBL469599

N/C(CC(=O)Nc1ccccc1)=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
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
EPHX2 P34913 2/20 0.53
MAPT P10636 4/20 0.51
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
MAOB P27338 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL3074309 0.84 KDM1A (0.72) KDM1AALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL1689279 0.82 KDM1A (0.69) KDM1ACYP3A4L3MBTL1EPHX2MAPT
SCHEMBL10138054 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4HDAC1
SCHEMBL1689206 0.81 EPHX2 (0.68) KDM1ACYP3A4L3MBTL1EPHX2MAPT
SCHEMBL10912538 0.81 KDM1A (0.68) KDM1AALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL10912542 0.81 KDM1A (0.68) KDM1AALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL28051723 0.80 KDM1A (0.67) KDM1AALDH1A1CYP3A4L3MBTL1EPHX2
SCHEMBL469530 0.80 KMT2A (0.73) KDM1AALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL29291426 0.79 KDM1A (0.66) KDM1AALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL10137740 0.79 KDM1A (0.71) KDM1AALDH1A1GAALMNAKMT2A

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 1115/4885CYP1A2 3999/4885

“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.