SCHEMBL469622

SCHEMBL469622

CCc1ccccc1NC(=O)C/C(N)=N/O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.68
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL16478514 0.86 KDM1A (0.66) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9312836 0.83 HDAC3 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL469623 0.83 KDM1A (0.69) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL469618 0.81 KDM1A (1.00) KDM1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10137740 0.81 KDM1A (0.71) KDM1AALDH1A1GAAKMT2APOLB
SCHEMBL10138046 0.80 KDM1A (0.66) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10138048 0.80 GAA (0.67) KDM1AALDH1A1GAAMEN1KMT2A
SCHEMBL29581227 0.79 MAPT (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1953684 0.79 MAPT (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10138047 0.79 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4MEN1

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 6/4885GRIN2D 1375/4885GRIN3B 857/4885

“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.