SCHEMBL88304

SCHEMBL88304

O=[C]OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KCNH2 Q12809 7/20 0.49
IDO1 P14902 2/20 0.49
KCNJ1 P48048 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5546765 0.90 TSHR (0.51) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5535044 0.88 TSHR (0.50) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL67262 0.87 TSHR (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5542239 0.87 KCNH2 (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5535027 0.87 KCNH2 (0.49) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL1211 0.81 IDO1 (0.61) TSHRIDO1LOXL2AKR1C3ALDH1A1
SCHEMBL3656180 0.81 TSHR (0.62) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL5535836 0.80 TSHR (0.54) TSHRALDH1A1CYP2C19POLB
SCHEMBL3292782 0.78 TSHR (0.75) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL4985766 0.78 TSHR (0.58) TSHRKCNH2IDO1KCNJ1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921499-B1 METHOD FOR LIQUID-PHASE SYNTHESIS OF NUCLEIC ACIDS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-22 EP claimed
EP-1379698-B1 MOBILITY-MODIFIED NUCLEOBASE POLYMERS AND METHODS OF USING SAME APPLIED BIOSYSTEMS LLC (US) 2009-08-26 EP claimed
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP claimed
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 US claimed
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules CAPROTEC BIOANALYTICS GMBH (DE) 2003-03-20 US claimed
US-20020169281-A1 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION 2002-11-14 US claimed
WO-2002081637-A2 PEPTIDES INCORPORATING CHEMOSELECTIVE FUNCTIONALITIES CHIRON CORPORATION (US) 2002-10-17 WO claimed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US claimed
EP-0898575-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KÖSTER, Hubert (US) 1999-03-03 EP claimed
US-5817811-A AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-06 US claimed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 WO claimed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides STEALTH BIOTHERAPEUTICS INC. (US) 2024-07-16 US disclosed
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2024-05-16 US disclosed
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF STEALTH BIOTHERAPEUTICS INC. (US) 2024-04-04 US disclosed
EP-0036673-A1 New thiadiazol compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-30 EP disclosed
US-4268509-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-19 US disclosed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 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 (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-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES ADAR, RNMT, ATIC TSHR 1687/4885KCNH2 4326/4885IDO1 3754/4885
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides ADM2, VIP, PEPD TSHR 1572/4885KCNH2 3274/4885IDO1 2317/4885
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN TSHR 2081/4885KCNH2 3009/4885IDO1 1985/4885
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules ADAR, RNMT, RRM1 TSHR 1523/4885KCNH2 4404/4885IDO1 3555/4885
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF S100A10, SPG11, TMSB10 TSHR 3820/4885KCNH2 4430/4885IDO1 1832/4885
US-20020169281-A1 Peptoids incorporating chemoselective functionalities VIP, PCNA, DNPEP TSHR 2487/4885KCNH2 4391/4885IDO1 2092/4885

“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.