SCHEMBL8977587

SCHEMBL8977587

N[C@H](Cc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51
NOS2 P35228 2/20 0.51
GRIA2 P42262 1/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
PTPRA P18433 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL29429691 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL43105 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL43104 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL8126535 0.98 NOS3 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL598438 0.86 GRM8 (0.48) NOS3NOS1NOS2GRIA2GRM8
SCHEMBL10416252 0.86 GRM8 (0.53) TSHRALDH1A1GRM8GRM4CYP1A2
SCHEMBL29500946 0.86 GRM8 (0.53) TSHRALDH1A1GRM8GRM4CYP1A2
SCHEMBL27977862 0.86 GRIA2 (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL13660654 0.85 PKM (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3096665 0.85 ALDH1A1 (0.55) TSHRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240008483-A1 COMPOSITION FOR MOLD REMEDIATION MOLD GUARD INC. (CA) 2024-01-11 US claimed
CN-116997648-A Composition for mould repair 霉菌防护有限公司 2023-11-03 CN claimed
EP-4244364-A1 COMPOSITION FOR MOLD REMEDIATION Mold Guard Inc. (CA) 2023-09-20 EP claimed
WO-2022104023-A1 COMPOSITION FOR MOLD REMEDIATION MOLD GUARD INC. (CA) 2022-05-19 WO claimed
US-20260083834-A1 CsgA-DERIVED NANOSTRUCTURES AND USES THEREOF FOR ANTIGEN DELIVERY TRANSFERT PLUS LP (CA) 2026-03-26 US disclosed
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-10-02 US disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
US-20250229081-A1 NANOMATERIAL COATED ELECTRODE AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2025-07-17 US disclosed
EP-4584301-A1 CSGA-DERIVED NANOSTRUCTURES AND USES THEREOF FOR ANTIGEN DELIVERY Transfert Plus, Limited Partnership (CA) 2025-07-16 EP disclosed
EP-4578867-A1 CYCLIC PEPTIDE OR SALT THEREOF AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
EP-4578868-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
US-8927500-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-01-06 US disclosed
CN-104159595-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-19 CN disclosed
CN-104144695-A Triazole-and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-12 CN disclosed
CN-104039342-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-09-10 CN disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
EP-0703900-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE DERIVATIVES OR HOMOLOGUES CONTAINING A GUANIDINO OR MODIFIED GUANIDINO GROUP USEFUL FOR THE PREPARATION GnRH OF ANTAGONISTIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-03 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 (7 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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT ALPI 4083/4885PKM 1858/4885PTGS1 3983/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 ALPI 563/4885PKM 1314/4885PTGS1 1907/4885
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF JAK2, JAK1, CHMP4B ALPI 818/4885PKM 843/4885PTGS1 2516/4885
US-20260083834-A1 CsgA-DERIVED NANOSTRUCTURES AND USES THEREOF FOR ANTIGEN DELIVERY VSIG8, MICA, CD74 ALPI 2844/4885PKM 4604/4885PTGS1 3808/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM ALPI 4064/4885PKM 2075/4885PTGS1 2311/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 ALPI 4601/4885PKM 1917/4885PTGS1 1479/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 ALPI 4451/4885PKM 1301/4885PTGS1 3382/4885

“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.