SCHEMBL4726032

SCHEMBL4726032

Nc1cccc(F)c1NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NLRP3 Q96P20 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL2095077 0.86 KMT2A (0.62) KMT2AALDH1A1RAB9ANPC1MEN1
SCHEMBL601500 0.83 HDAC1 (0.72) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL30954547 0.83 HDAC1 (0.72) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL20050944 0.80 HDAC1 (0.52) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL16886016 0.80 HDAC1 (0.72) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL29549372 0.79 HDAC1 (0.51) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL22807460 0.79 HDAC1 (0.51) HDAC1KMT2AALDH1A1HDAC3HDAC2
SCHEMBL16176784 0.78 KMT2A (0.50) KMT2AALDH1A1RAB9ANPC1MEN1
SCHEMBL7254610 0.78 TSHR (0.43) HDAC1KMT2AHDAC3HDAC2MAPK1
SCHEMBL13363243 0.78 HDAC1 (0.53) HDAC1KMT2AALDH1A1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 US disclosed
EP-2877444-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2020-09-02 EP disclosed
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-03-15 US disclosed
US-9790184-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2015-07-09 US disclosed
EP-2877444-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2015-06-03 EP disclosed
WO-2014018979-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2014-01-30 WO disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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 (4 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HDAC1 608/4885KMT2A 3751/4885ALDH1A1 260/4885
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885KMT2A 146/4885ALDH1A1 1955/4885
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC5 HDAC1 2/4885KMT2A 174/4885ALDH1A1 2035/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 HDAC1 2/4885KMT2A 144/4885ALDH1A1 2183/4885

“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.