SCHEMBL76981

SCHEMBL76981

Cc1cc([N+](=O)[O-])cc(C)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.56
GPR35 Q9HC97 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP19A1 P11511 1/20 0.48
HTT P42858 5/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL12326844 0.89 ALDH1A1 (0.50) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL13304834 0.87 ALDH1A1 (0.61) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL26426539 0.87 HTT (0.50) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL15983820 0.86 ALDH1A1 (0.55) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL20973734 0.86 ALDH1A1 (0.48) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL30148598 0.86 ALDH1A1 (0.48) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL31148683 0.82 ERN1 (0.47) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL31148800 0.82 ALDH1A1 (0.44) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL27455048 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL24723042 0.81 ALDH1A1 (0.47) TSHRALDH1A1TDP1GPR35CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
US-12338206-B2 Compounds and their uses as thyroid hormone receptor agonists NANJING RUIJIE PHARMA CO., LTD. (CN) 2025-06-24 US disclosed
US-20250109132-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA DESIGN THERAPEUTICS INC (US) 2025-04-03 US disclosed
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-119431265-A Compound as thyroid hormone receptor agonist 南京瑞捷医药科技有限公司 2025-02-14 CN disclosed
CN-114621207-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-02-11 CN disclosed
CN-114195764-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-01-17 CN disclosed
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed
EP-3965884-B1 MODULATORS OF THR-BETA WITH A DIOXO-1,2,4-TRIAZYL HEAD GROUP ALIGOS THERAPEUTICS INC (US) 2025-01-15 EP disclosed
US-20020193610-A1 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-12-19 US disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 WO disclosed
WO-2002090344-A1 AMIDO-DIPHENYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
WO-2002022586-A1 INDAZOLES HAVING AN ACTION SIMILAR TO THAT OF A THYROID HORMONE, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 WO disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 WO disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed
EP-0488756-B1 Oxidizable color producing reagent WAKO PURE CHEM IND LTD (JP) 1997-02-26 EP disclosed
US-5238818-A Derivative of p-fluoroaniline with 4-aminoantipyrine WAKO PURE CHEMICALS CO., LTD. (JP) 1993-08-24 US disclosed
EP-0488756-A1 Oxidizable color producing reagent WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-06-03 EP 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-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR TSHR 4/4885ALDH1A1 3330/4885TDP1 581/4885
US-12338206-B2 Compounds and their uses as thyroid hormone receptor agonists THRA, THRB, TSHR TSHR 3/4885ALDH1A1 2039/4885TDP1 1640/4885
US-20020193610-A1 Indazoles CYP3A43, CYP3A5, CYP3A4 TSHR 3101/4885ALDH1A1 698/4885TDP1 2480/4885
US-20250109132-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA ATXN2, ATXN2L, ATXN10 TSHR 2574/4885ALDH1A1 4371/4885TDP1 134/4885

“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.