Sugi Predict

Sugi Predict / Compounds / SCHEMBL2227751

SCHEMBL2227751

SCHEMBL2227751

NC(=NO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.67
▸ POLB P06746 5/20 0.66
▸ MAPT P10636 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ PRSS1 P07477 1/20 0.63
▸ PRSS2 P07478 1/20 0.63
▸ PRSS3 P35030 1/20 0.63
▸ CES2 O00748 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ TP53 P04637 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ HPGD P15428 1/20 0.54

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
SCHEMBL29642599 1.00 TSHR (0.67) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL30999888 1.00 TSHR (0.67) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL2227749 1.00 TSHR (0.67) TSHRPOLBMAPTMEN1KMT2A
Methane SCHEMBL28159024 0.82 TSHR (0.96) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL11727865 0.82 CYP3A4 (0.62) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL894417 0.80 TSHR (1.00) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL29848105 0.80 TSHR (1.00) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL5484238 0.79 ALDH1A1 (0.67) TSHRMAPTMEN1KMT2APRSS1
SCHEMBL29642587 0.79 ALDH1A1 (0.67) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL4218702 0.79 ALDH1A1 (0.67) TSHRPOLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363415-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2025-12-10 — — EP disclosed
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 — — US disclosed
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2024-08-22 — — US disclosed
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 — — EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 — — CN disclosed
EP-4363415-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Tecnimede, Sociedade Técnico-Medicinal, SA (PT) 2024-05-08 — — EP disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 — — EP disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 — — WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 — — EP disclosed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 — — US disclosed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 — — US disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — WO disclosed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 — — US disclosed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 — — US disclosed
US-4243409-A 1,2,4-Oxadiazole derivatives and herbicide composition containing same SCHERING AKTIENGESELLSCHAFT 1981-01-06 — — 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 (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-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA TSHR 3189/4885POLB 4124/4885MAPT 1272/4885
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis SDHA, NQO1, FNTB TSHR 1713/4885POLB 422/4885MAPT 2606/4885
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 TSHR 3698/4885POLB 2069/4885MAPT 2167/4885
US-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 TSHR 1486/4885POLB 991/4885MAPT 2422/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 TSHR 1694/4885POLB 1994/4885MAPT 4219/4885
US-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 TSHR 353/4885POLB 4278/4885MAPT 1691/4885

“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.