SCHEMBL9952239

SCHEMBL9952239

O=C1c2cccc(O)c2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.48
AR P10275 1/20 0.46
DPP4 P27487 3/20 0.44
ANPEP P15144 2/20 0.44
TYMS P04818 1/20 0.44
DPP8 Q6V1X1 1/20 0.41
CFTR P13569 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NOTUM Q6P988 3/20 0.39
PIM3 Q86V86 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
SCN2A Q99250 1/20 0.39

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
SCHEMBL18804922 0.85 TYMS (0.52) CCR9ARDPP4TYMSMEN1
SCHEMBL10066977 0.84 AR (0.55) CCR9ARCFTRMEN1KMT2A
SCHEMBL18814827 0.82 AR (0.49) CCR9ARMEN1KMT2ARAB9A
SCHEMBL9951552 0.79 AR (0.46) CCR9ARDPP4DPP8MEN1
SCHEMBL3373539 0.79 ANPEP (0.54) CCR9DPP4ANPEPTYMSDPP8
SCHEMBL17145059 0.77 MAPT (0.47) MEN1KMT2AUSP2KDM4EALDH1A1
SCHEMBL17154499 0.76 NPC1 (0.41) ARTRPV1NPC1RAB9ANOTUM
SCHEMBL9952072 0.75 GALR3 (0.43) CCR9ARDPP4DPP8KMT2A
SCHEMBL19807215 0.75 AR (0.43) CCR9ARDPP4DPP8KMT2A
SCHEMBL18814828 0.75 ALDH1A1 (0.40) ARCFTRTRPV1RAB9ANOTUM

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 14 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-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-08-26 EP disclosed
US-20180244603-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-08-30 US 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
US-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 US disclosed
US-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 US disclosed
EP-2654428-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF UNIV COLUMBIA (US) 2018-02-14 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
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
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
EP-2654428-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF The Trustees of Columbia University in the City of New York (US) 2013-10-30 EP 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
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 (2 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-20180244603-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, HTT, KAT2A CCR9 4735/4885AR 964/4885DPP4 1857/4885
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT CCR9 4738/4885AR 892/4885DPP4 1840/4885

“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.