SCHEMBL9952072

SCHEMBL9952072

CN(C)CCOc1cccc2c1C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 4/20 0.43
UTS2R Q9UKP6 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CCR9 P51686 1/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL19799132 0.89 GALR3 (0.43) GALR3ALDH1A1HTR2AHTR2CKMT2A
SCHEMBL9951552 0.87 AR (0.46) ARALDH1A1CCR9HPGDKMT2A
SCHEMBL19807215 0.86 AR (0.43) ARALDH1A1CCR9HPGDKMT2A
SCHEMBL10067176 0.86 HTR2A (0.42) GALR3UTS2RARALDH1A1HTR2A
SCHEMBL18804933 0.85 HTR2A (0.42) GALR3UTS2RARALDH1A1HTR2A
SCHEMBL18814827 0.83 AR (0.49) ARALDH1A1CCR9HPGDKMT2A
SCHEMBL17154487 0.83 UTS2R (0.41) UTS2RALDH1A1HPGDKMT2AKDM4E
SCHEMBL19805572 0.81 HTR2C (0.47) UTS2RHTR2AHTR2CHTR2B
SCHEMBL18804922 0.78 TYMS (0.52) ARCCR9KMT2ADPP4
SCHEMBL18804897 0.76 HTR2A (0.42) GALR3UTS2RALDH1A1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20220125748-A1 HISTONE ACETYLTRANSFERASE (HAT) REGULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-04-28 US disclosed
US-20200330410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-10-22 US disclosed
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-10653648-B2 Histone acetyltransferase activators and compositions and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-19 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
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
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
US-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-01-25 US disclosed
WO-2018017858-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-25 WO 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 (6 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-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 GALR3 2453/4885UTS2R 2846/4885AR 785/4885
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT GALR3 2139/4885UTS2R 2989/4885AR 892/4885
US-20220125748-A1 HISTONE ACETYLTRANSFERASE (HAT) REGULATORS AND USES THEREOF KAT2A, KAT5, EP300 GALR3 2298/4885UTS2R 2597/4885AR 471/4885
US-20200330410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 GALR3 2453/4885UTS2R 2846/4885AR 785/4885
US-10653648-B2 Histone acetyltransferase activators and compositions and uses thereof HDAC6, HDAC9, HDAC5 GALR3 2453/4885UTS2R 2846/4885AR 785/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 GALR3 2453/4885UTS2R 2846/4885AR 785/4885

“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.