SCHEMBL11207191

SCHEMBL11207191

CC(=O)Nc1cc(C)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC3 O15379 3/20 0.60
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL30832967 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC3KMT2ATDP1
SCHEMBL15551319 0.86 HDAC2 (0.51) HDAC1HDAC2HDAC3KMT2ATDP1
SCHEMBL14155797 0.86 HDAC2 (0.77) HDAC1HDAC2HDAC3TDP1NPC1
SCHEMBL9509772 0.85 NPC1 (0.55) HDAC1HDAC2HDAC3KMT2ATDP1
SCHEMBL8110762 0.82 HDAC2 (0.83) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1708819 0.82 HDAC1 (0.62) HDAC1HDAC2HDAC3KMT2ATDP1
SCHEMBL11646949 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC3KMT2ATDP1
SCHEMBL11640192 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC3TDP1HPGD
SCHEMBL10372226 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3HPGDALDH1A1
SCHEMBL11512570 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2024-05-14 US disclosed
CN-111683662-B Substituted pyrimidine compounds, pharmaceutical compositions and methods of treatment 陈志宏 2024-04-02 CN disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2023-04-13 US disclosed
EP-3675860-B1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2023-03-08 EP disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2022-09-13 US disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
CN-111683662-A Substituted pyrimidines, pharmaceutical compositions and methods of treatment 陈志宏 2020-09-18 CN disclosed
EP-3675860-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF Zhihong, Chen (US) 2020-07-08 EP disclosed
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2020-06-18 US disclosed
WO-2019046163-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2019-03-07 WO disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
EP-0038453-B1 PROCESS FOR THE PREPARATION OF WATER SOLUBLE PHTHALOCYANINE DYESTUFFS BAYER AG (DE) 1983-05-25 EP disclosed
EP-0038453-A2 Process for the preparation of water soluble phthalocyanine dyestuffs BAYER AG (DE) 1981-10-28 EP disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US 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 (8 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-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME HDAC1, HDAC9, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 10/4885
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HDAC1 2735/4885HDAC2 1615/4885HDAC3 2190/4885
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS HDAC1 1151/4885HDAC2 2703/4885HDAC3 2139/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS HDAC1 1151/4885HDAC2 2703/4885HDAC3 2139/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD HDAC1 3044/4885HDAC2 2568/4885HDAC3 3070/4885
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HDAC1 2735/4885HDAC2 1615/4885HDAC3 2190/4885
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HDAC1 2735/4885HDAC2 1615/4885HDAC3 2190/4885
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HDAC1 2735/4885HDAC2 1615/4885HDAC3 2190/4885

“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.