SCHEMBL2227754

SCHEMBL2227754

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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 4/20 0.57
TSHR P16473 3/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL3551362 0.85 PRSS1 (0.66) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL14599583 0.85 PRSS1 (0.61) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL4399781 0.83 PRSS1 (0.69) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL24933536 0.81 ALDH1A1 (0.64) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL29508878 0.81 KMT2A (0.71) CES2CES1TP53ALDH1A1TSHR
SCHEMBL297043 0.81 KMT2A (0.71) CES2CES1TP53ALDH1A1TSHR
SCHEMBL7433906 0.79 KDM4E (0.67) ALDH1A1KMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL2045143 0.79 KMT2A (0.69) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL2045145 0.79 KMT2A (0.69) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL2892439 0.79 ALDH1A1 (0.71) PRSS1PRSS2PRSS3CES2CES1

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 49 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
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
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
EP-1881979-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-01-30 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed
WO-2006114400-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-11-02 WO disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO 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 (4 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 PRSS1 2086/4885PRSS2 1510/4885PRSS3 3240/4885
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis SDHA, NQO1, FNTB PRSS1 4299/4885PRSS2 4388/4885PRSS3 4274/4885
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 PRSS1 62/4885PRSS2 60/4885PRSS3 53/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 PRSS1 748/4885PRSS2 2068/4885PRSS3 2412/4885

“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.