SCHEMBL5201173

SCHEMBL5201173

Cc1cc(O)cc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
GPR35 Q9HC97 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.50
ACHE P22303 2/20 0.50
ALOX15 P16050 2/20 0.50
GALR3 O60755 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL1097495 0.84 TSHR (1.00) TSHRGPR35MEN1KMT2AHTT
SCHEMBL635130 0.84 TSHR (0.90) TSHRGPR35MEN1KMT2AHTT
SCHEMBL593064 0.84 CYP19A1 (0.62) TSHRGPR35MEN1KMT2AHTT
SCHEMBL69389 0.84 ALDH1A1 (0.60) TSHRGPR35MEN1KMT2AHTT
SCHEMBL9265700 0.84 ALDH1A1 (0.60) TSHRGPR35MEN1KMT2AHTT
Water SCHEMBL28180935 0.81 CYP19A1 (0.59) TSHRGPR35MEN1KMT2AHTT
SCHEMBL30387741 0.81 CYP19A1 (0.59) TSHRGPR35MEN1KMT2AHTT
SCHEMBL29381787 0.81 CYP19A1 (0.59) TSHRGPR35MEN1KMT2AHTT
Phenol SCHEMBL28300096 0.80 TSHR (0.61) TSHRGPR35MEN1KMT2AHTT
SCHEMBL16951605 0.75 TSHR (0.65) TSHRGPR35MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637445-B2 KIF18A inhibitors AMGEN INC. (US) 2026-05-26 US disclosed
EP-4007756-B1 KIF18A INHIBITORS AMGEN INC (US) 2025-12-24 EP disclosed
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
US-20220281843-A1 KIF18A INHIBITORS AMGEN INC. (US) 2022-09-08 US disclosed
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
EP-4007756-A1 KIF18A INHIBITORS Amgen Inc. (US) 2022-06-08 EP disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
CN-114269731-A KIF18A inhibitors 美国安进公司 2022-04-01 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20010053784-A1 Imminoribitol PNP inhibitors, preparation thereof and use thereof BIOCRYST PHARMACEUTICALS, INC (US) 2001-12-20 US disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed
US-4814518-A SOLVENT EXTRACTION, AMINE SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
US-4496774-A PREFERENTIAL COMPLEXING WITH CALCIUM BROMIDE KOPPERS COMPANY, INC. (US) 1985-01-29 US disclosed
US-4479019-A TREATING MIXTURE WITH CALCIUM BROMIDE KOPPERS COMPANY, INC. (US) 1984-10-23 US disclosed
US-4447654-A COMPLEXING WITH METAL HALIDE SALTS KOPPERS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0000784-B1 4-HYDROXY-2-BENZIMIDAZOLINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS Roche Diagnostics GmbH (DE) 1981-08-26 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 (5 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G TSHR 3900/4885GPR35 1920/4885MEN1 4387/4885
US-20220281843-A1 KIF18A INHIBITORS KIF18A, KIF18B, KIF15 TSHR 4094/4885GPR35 3933/4885MEN1 2190/4885
US-12637445-B2 KIF18A inhibitors KIF18A, KIF18B, KIF2C TSHR 1994/4885GPR35 3958/4885MEN1 3774/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G TSHR 3900/4885GPR35 1920/4885MEN1 4387/4885
US-20010053784-A1 Imminoribitol PNP inhibitors, preparation thereof and use thereof PNP, PNLIP, PNPO TSHR 2576/4885GPR35 2405/4885MEN1 3341/4885

“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.