SCHEMBL10067181

SCHEMBL10067181

O=C1c2ccccc2CN1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 3/20 0.52
CYP11B2 P19099 1/20 0.46
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10067684 0.87 BCAT2 (0.50) NPC1RAB9ACYP11B2DRD1HDAC6
SCHEMBL17154499 0.80 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL18804931 0.80 PARP1 (0.45) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL22341763 0.79 NOTUM (0.40) LMNAARNOTUM
SCHEMBL10066977 0.77 AR (0.55) KMT2AMEN1ARNOTUM
SCHEMBL22291931 0.77 NPC1 (0.68) NPC1RAB9APKMCYP11B2TP53
SCHEMBL17144239 0.77 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL31707501 0.77 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL30910319 0.77 NPC1 (0.62) NPC1RAB9APKMCYP11B2TP53
SCHEMBL28221314 0.77 NPC1 (0.62) NPC1RAB9APKMCYP11B2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323813-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-08-26 EP disclosed
EP-3323813-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2018-05-23 EP disclosed
EP-2654428-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF UNIV COLUMBIA (US) 2018-02-14 EP disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
WO-2012088420-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-06-28 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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT NPC1 1068/4885RAB9A 1758/4885PKM 2443/4885

“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.