SCHEMBL2762350

SCHEMBL2762350

N=C(N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.96
PRSS2 P07478 1/20 0.96
PRSS3 P35030 1/20 0.96
TSHR P16473 3/20 0.71
CES2 O00748 1/20 0.65
CES1 P23141 1/20 0.65
TP53 P04637 1/20 0.62
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
PLG P00747 1/20 0.55
F10 P00742 1/20 0.54
F2 P00734 1/20 0.53

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
Hydrochloric Acid SCHEMBL1262882 0.98 PRSS1 (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL29848105 0.83 TSHR (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL894417 0.83 TSHR (1.00) PRSS1PRSS2PRSS3TSHRCES2
Guanidine SCHEMBL28122612 0.82 PRSS1 (0.67) PRSS1PRSS2PRSS3TSHRCES2
Hydrochloric Acid SCHEMBL7389430 0.81 TSHR (0.96) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL2892439 0.81 ALDH1A1 (0.71) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL2308208 0.81 TSHR (0.71) PRSS1PRSS2PRSS3TSHRCES2
Methane SCHEMBL28159024 0.81 TSHR (0.96) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL3551362 0.81 PRSS1 (0.66) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL5031003 0.80 PRSS1 (0.65) PRSS1PRSS2PRSS3TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed
CN-118339274-A Brandy replica 艾娃食品实验室股份有限公司 2024-07-12 CN disclosed
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 US disclosed
EP-3504204-A1 INDAZOLYL-L,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2019-07-03 EP disclosed
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 CN disclosed
WO-2018039539-A1 INDAZOLYL-L,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2018-03-01 WO disclosed
WO-2013127780-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-09-06 WO disclosed
US-8343963-B2 Sulfamoyl-phenyl-ureido compounds and their use as medicament 4SC AG (DE) 2013-01-01 US disclosed
WO-1998011150-A1 TRIAZINE POLYMERS AND THE APPLICATION THEREOF IN ELECTROLUMINESCENT ARRANGEMENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
EP-0397362-A1 Electrochemical detection of growth of micro-organisms CarnaudMetalbox plc (GB) 1990-11-14 EP disclosed
US-4259482-A NON-SPECIFIC DEPRESSION OF CENTRAL NERVOUS SYSTEM MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4206142-A REACTING A STYRYLSULFONYLAMIDINE WITH A BASE MEAD JOHNSON & COMPANY (US) 1980-06-03 US disclosed
US-4130663-A ANTITHROMBOGENIC, ANTIHYPERTENSIVE MEAD JOHNSON & COMPANY (US) 1978-12-19 US disclosed
US-4096183-A Styrylsulfonylamidines MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4052455-A ANALGESICS, BLOOD PLATELET AGGREGATION INHIBITORS MEAD JOHNSON & COMPANY (US) 1977-10-04 US disclosed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 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 (2 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-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 PRSS1 2157/4885PRSS2 2712/4885PRSS3 2489/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 PRSS1 2157/4885PRSS2 2712/4885PRSS3 2489/4885

“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.