SCHEMBL469621

SCHEMBL469621

N/C(CC(=O)Nc1ccccc1S)=N\O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.69
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 1/20 0.50
MDM4 O15151 4/20 0.47
TP53 P04637 4/20 0.47
MDM2 Q00987 2/20 0.43
CETP P11597 3/20 0.40
POLB P06746 1/20 0.40
CHIT1 Q13231 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL469618 0.82 KDM1A (1.00) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10137740 0.82 KDM1A (0.71) KDM1AALDH1A1POLB
SCHEMBL10138046 0.81 KDM1A (0.66) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10138056 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL469531 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL469623 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4POLB
SCHEMBL10138047 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL469617 0.80 KDM1A (0.64) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL469622 0.79 KDM1A (0.68) KDM1AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL469609 0.78 KDM1A (0.66) KDM1AALDH1A1

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.