SCHEMBL469606

SCHEMBL469606

COc1ccccc1NC(=O)C/C(N)=N/O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.64
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
POLB P06746 3/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CASP6 P55212 1/20 0.56

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
SCHEMBL10138048 0.86 GAA (0.67) KDM1AALDH1A1LMNAMEN1KMT2A
SCHEMBL4593391 0.84 MAPT (0.73) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL2007035 0.84 MEN1 (0.76) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL10138055 0.83 ADRA2C (0.68) KDM1AALDH1A1LMNAMEN1KMT2A
SCHEMBL1753688 0.80 HDAC3 (0.78) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL19026947 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL469623 0.80 KDM1A (0.69) KDM1AALDH1A1MAPTHSD17B10LMNA
SCHEMBL1645833 0.80 ADRA2C (0.67) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL9191016 0.80 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL31590799 0.80 KMT2A (0.69) ALDH1A1MAPTHSD17B10LMNAMEN1

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 1115/4885MAPT 1566/4885

“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.