SCHEMBL2733258

SCHEMBL2733258

CC(C)(C)c1ccc(C(C)(C)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
ALDH1A1 P00352 6/20 0.38
ALOX5AP P20292 1/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 2/20 0.34
CYP19A1 P11511 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL701703 0.84 TSHR (0.46) LMNATYRALDH1A1NPC1MAPT
SCHEMBL29754040 0.84 TSHR (0.46) LMNATYRALDH1A1NPC1MAPT
SCHEMBL24397795 0.83 KMT2A (0.46) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL20760520 0.83 HSD11B1 (0.36) LMNATYRALDH1A1ALOX5APNPC1
SCHEMBL12045147 0.80 NPC1 (0.36) LMNAALDH1A1ALOX5APNPC1MAPT
SCHEMBL20712281 0.78 ALDH1A1 (0.38) LMNATYRALDH1A1NPC1MAPT
SCHEMBL77362 0.78 TRPV4 (0.54) LMNATYRALDH1A1TSHRKIF11
SCHEMBL12241431 0.78 TRPV4 (0.39) LMNATYRALDH1A1ALOX5APNPC1
SCHEMBL17403536 0.78 LOXL2 (0.41) LMNATYRALDH1A1ALOX5APNPC1
SCHEMBL15298560 0.78 ALDH1A1 (0.38) LMNATYRALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2021-04-13 US disclosed
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2021-01-21 US disclosed
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2020-11-19 US disclosed
US-10487068-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-11-26 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (11 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-10487068-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA LMNA 1681/4885TYR 1339/4885ALDH1A1 374/4885
US-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 LMNA 2964/4885TYR 1585/4885ALDH1A1 1268/4885
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK LMNA 2227/4885TYR 56/4885ALDH1A1 3488/4885
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA LMNA 1681/4885TYR 1339/4885ALDH1A1 374/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TYR 2928/4885ALDH1A1 680/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 LMNA 2653/4885TYR 4798/4885ALDH1A1 2107/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 LMNA 2379/4885TYR 1484/4885ALDH1A1 740/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 LMNA 1090/4885TYR 4413/4885ALDH1A1 643/4885
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 LMNA 1090/4885TYR 4413/4885ALDH1A1 643/4885
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 LMNA 3080/4885TYR 1716/4885ALDH1A1 1317/4885
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof TGFB1, TGFB2, TGFBR1 LMNA 1090/4885TYR 4413/4885ALDH1A1 643/4885

“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.