SCHEMBL1663065

SCHEMBL1663065

N#Cc1cccc(O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
AR P10275 3/20 0.39
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.38
TSHR P16473 1/20 0.38
SOS2 Q07890 1/20 0.37
LMNA P02545 2/20 0.37
DYRK1A Q13627 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ADAMTS4 O75173 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MMP8 P22894 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
O-Xylene SCHEMBL3196328 0.89 TSHR (0.53) ESR2ESR1ARCXCR2CXCR1
SCHEMBL832 0.83 TSHR (0.46) ESR2CXCR2CXCR1TSHRLMNA
SCHEMBL373562 0.79 ESR2 (0.45) ESR2ESR1ARCXCR2CXCR1
SCHEMBL31616078 0.77 ALDH1A1 (0.36) TSHRLMNACA1CA2ADAMTS4
SCHEMBL16955445 0.77 CA2 (0.36) TSHRLMNACA1CA2ADAMTS4
SCHEMBL3386194 0.76 DYRK1A (0.47) ESR2CXCR2CXCR1TSHRLMNA
SCHEMBL491433 0.76 ALDH1A1 (0.52) ESR2ARCXCR2TSHRSOS2
SCHEMBL31609682 0.76 ALDH1A1 (0.52) ESR2ARCXCR2TSHRSOS2
SCHEMBL31032883 0.76 DYRK1A (0.47) ESR2CXCR2CXCR1TSHRLMNA
SCHEMBL5756 0.75

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-12466781-B2 Thyromimetics AUTOBAHN THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
CN-117736222-A MTA synergistic PRMT5 inhibitor compounds having tricyclic or tetracyclic ring structures 烨辉医药科技(上海)有限公司 2024-03-22 CN disclosed
US-20230048992-A1 NOVEL THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-02-16 US disclosed
CN-115279359-A Novel thyromimetic agents 速通医疗公司 2022-11-01 CN disclosed
EP-4065098-A1 NOVEL THYROMIMETICS Autobahn Therapeutics, Inc. (US) 2022-10-05 EP disclosed
WO-2022133037-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-06-23 WO disclosed
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 US disclosed
WO-2021108549-A1 NOVEL THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. (US) 2021-06-03 WO disclosed
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA AB (SE) 2020-04-09 US disclosed
EP-3621968-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS Astrazeneca AB (SE) 2020-03-18 EP disclosed
CN-110603258-A Heteroaryl compounds that inhibit G12C mutant RAS proteins 阿斯利康(瑞典)有限公司 2019-12-20 CN disclosed
WO-2018206539-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA AB (SE) 2018-11-15 WO disclosed
CN-105392779-B Tetrazolinone compound and use thereof 住友化学株式会社 2018-01-19 CN disclosed
CN-105392779-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-03-09 CN disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
EP-2491004-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES Tranzyme Pharma, Inc. (US) 2012-08-29 EP disclosed
EP-2491020-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES Tranzyme Pharma, Inc. (US) 2012-08-29 EP disclosed
WO-2011050270-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 WO disclosed
WO-2011050276-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 ESR2 4008/4885ESR1 4117/4885AR 3857/4885
US-20230048992-A1 NOVEL THYROMIMETICS TSHR, TPO, CHRM1 ESR2 1837/4885ESR1 2258/4885AR 1508/4885
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS ESR2 2214/4885ESR1 2485/4885AR 2742/4885
US-12466781-B2 Thyromimetics TPO, TSHR, CHRM1 ESR2 1738/4885ESR1 1938/4885AR 1242/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS ESR2 2128/4885ESR1 2410/4885AR 2758/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 ESR2 3531/4885ESR1 3377/4885AR 3409/4885

“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.