SCHEMBL469447

SCHEMBL469447

O=C(O)CCCCCC(=O)Nc1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 2/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
HDAC3 O15379 8/20 0.61
HDAC1 Q13547 8/20 0.61
HDAC2 Q92769 8/20 0.61
HDAC10 Q969S8 5/20 0.61
HDAC6 Q9UBN7 5/20 0.61
NCOR2 Q9Y618 5/20 0.61
HDAC4 P56524 4/20 0.61
HDAC7 Q8WUI4 4/20 0.61
HDAC11 Q96DB2 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
HDAC9 Q9UKV0 4/20 0.61
HDAC5 Q9UQL6 4/20 0.61
HTT P42858 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL469454 0.98 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL469451 0.95 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL469448 0.88 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL8363038 0.87 HDAC1 (0.72) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL4138124 0.86 CETP (0.67) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL21665202 0.83 HTT (0.60) MAPTALDH1A1GAAHDAC3HDAC1
SCHEMBL27918779 0.82 CETP (0.65) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL7717024 0.82 HDAC3 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7717055 0.82 HDAC3 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7719067 0.82 HDAC3 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA

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 SMN1; SMN2 480/4885RAB9A 2964/4885NPC1 1172/4885

“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.