SCHEMBL771632

SCHEMBL771632

Cc1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ PARP1 P09874 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.50
▸ KAT2B Q92831 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KCNMA1 Q12791 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ S1PR4 O95977 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL31090841 1.00 TSHR (0.67) TSHRCYP3A4PARP1GPR35KAT2B
SCHEMBL8054600 0.83 TSHR (0.67) TSHRCYP3A4PARP1GPR35KAT2B
SCHEMBL9641085 0.81 TSHR (0.45) TSHRCYP3A4PARP1GPR35KAT2B
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL171914 0.78 TSHR (0.72) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL11189916 0.78 TSHR (0.72) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL1665978 0.78 PARP1 (0.56) TSHRCYP3A4PARP1GPR35TDP1
SCHEMBL29613904 0.78 TSHR (0.72) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL2332821 0.77 TSHR (0.53) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL30414747 0.77 TDP1 (0.61) TSHRPARP1GPR35HSD17B10TDP1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 — — WO disclosed
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 — — CN disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 — — US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 — — EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 — — CN disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 — — US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 — — US disclosed
CN-107325002-A A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material 南昌大学 2017-11-07 — — CN disclosed
WO-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — WO disclosed
US-6660755-B2 Controlling cell proliferation agent; skin disorders; antiinflamamtory agents ALLERGAN, INC. 2003-12-09 — — US disclosed
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN, INC. 2003-06-12 — — US disclosed
US-6455701-B1 SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION ALLERGAN, INC. 2002-09-24 — — US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 — — EP disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 — — US disclosed
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 — — US disclosed
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
US-4369318-A USING A BENZO-OR PYRIDO-CINNOLINES AS BLEACH CATALYST CIBA-GEIGY LTD. (CH) 1983-01-18 — — US disclosed
US-4266011-A FUSED PYRIDAZINE CATALYST CIBA-GEIGY AG (CH) 1981-05-05 — — 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 (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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT TSHR 1933/4885CYP3A4 655/4885PARP1 381/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885CYP3A4 592/4885PARP1 4276/4885
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 TSHR 570/4885CYP3A4 1029/4885PARP1 2235/4885
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity RXRB, RXRA, RXRG TSHR 74/4885CYP3A4 779/4885PARP1 4510/4885

“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.

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