Sugi Predict

Sugi Predict / Compounds / SCHEMBL4864259

SCHEMBL4864259

SCHEMBL4864259

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ TSHR P16473 4/20 0.67
▸ CES2 O00748 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ TP53 P04637 1/20 0.59
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54
▸ PRSS3 P35030 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL2045140 1.00 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL29642587 1.00 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL4218702 1.00 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL30006288 0.80 ALDH1A1 (1.00) ALDH1A1TSHRCES2CES1TP53
SCHEMBL206387 0.80 ALDH1A1 (1.00) ALDH1A1TSHRCES2CES1TP53
SCHEMBL29642599 0.79 TSHR (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL2227751 0.79 TSHR (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL5484236 0.79 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL27963505 0.79 CES2 (0.61) ALDH1A1TSHRCES2CES1TP53
SCHEMBL5484238 0.79 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — US 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
WO-2018170173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 — — WO 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
US-8507514-B2 Hydrazide compound and use of the same in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 — — US disclosed
US-20130137682-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 — — US disclosed
US-20130131115-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 — — US disclosed
US-20130131116-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 — — US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 — — US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 — — US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 — — US disclosed
EP-1641452-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV Rigel Pharmaceuticals (US) 2006-04-05 — — EP disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 — — EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 — — US disclosed
WO-2004103366-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV RIGEL PHARMACEUTICALS (US) 2004-12-02 — — WO disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 — — WO disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 — — WO disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 — — 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 (8 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS ALDH1A1 1236/4885TSHR 4619/4885CES2 782/4885
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885CES2 636/4885
US-20130137682-A1 PEST CONTROL COMPOSITION H1-4, HRH4, CHRM2 ALDH1A1 1150/4885TSHR 184/4885CES2 2994/4885
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 ALDH1A1 3126/4885TSHR 2202/4885CES2 3852/4885
US-20130131115-A1 PEST CONTROL COMPOSITION HRH2, HRH4, HRH1 ALDH1A1 994/4885TSHR 858/4885CES2 2435/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS ALDH1A1 491/4885TSHR 4714/4885CES2 2020/4885
US-20130131116-A1 PEST CONTROL COMPOSITION H1-4, H1-10, H1-0 ALDH1A1 2099/4885TSHR 1305/4885CES2 1738/4885
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 ALDH1A1 3126/4885TSHR 2202/4885CES2 3852/4885

“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.