SCHEMBL9951783

SCHEMBL9951783

CCOc1cccc(OCCN2CCOCC2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.64
MAPK14 Q16539 2/20 0.64
RAF1 P04049 5/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KDR P35968 4/20 0.52
EGFR P00533 2/20 0.52
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 1/20 0.50
RET P07949 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL18804908 0.92 BRAF (0.64) BRAFMAPK14RAF1RXFP1KDR
SCHEMBL9952854 0.91 RAF1 (0.53) BRAFMAPK14RAF1RXFP1KDR
SCHEMBL9952826 0.91 LMNA (0.54) BRAFMAPK14RAF1RXFP1ALDH1A1
SCHEMBL9952360 0.90 LMNA (0.51) BRAFMAPK14RAF1RXFP1HTR2A
SCHEMBL22572026 0.89 LMNA (0.50) BRAFMAPK14RAF1ALDH1A1LMNA
SCHEMBL25743072 0.88 KDR (0.54) BRAFMAPK14RXFP1KDRHTR2A
SCHEMBL22339738 0.85 LMNA (0.57) KDRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10067171 0.85 LMNA (0.53) KDRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22339327 0.84 LMNA (0.54) BRAFRAF1RXFP1KDRALDH1A1
SCHEMBL22339732 0.84 LMNA (0.52) RAF1KDRALDH1A1LMNAMAPT

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
CN-106432137-B Histone acetyltransferase modulators and uses thereof 纽约市哥伦比亚大学理事会 2020-11-06 CN 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
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
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-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
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 BRAF 2396/4885MAPK14 2273/4885RAF1 2684/4885
US-20180244603-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, HTT, KAT2A BRAF 3541/4885MAPK14 2899/4885RAF1 3877/4885
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT BRAF 3509/4885MAPK14 2840/4885RAF1 3893/4885
US-20200330410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 BRAF 2396/4885MAPK14 2273/4885RAF1 2684/4885
US-10653648-B2 Histone acetyltransferase activators and compositions and uses thereof HDAC6, HDAC9, HDAC5 BRAF 2396/4885MAPK14 2273/4885RAF1 2684/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 BRAF 2396/4885MAPK14 2273/4885RAF1 2684/4885

“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.