SCHEMBL29359698

SCHEMBL29359698

N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
KMO O15229 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6159827 1.00 ALDH1A1 (0.51) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL6671231 1.00 ALDH1A1 (0.51) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL14255280 0.90 ALDH1A1 (0.55) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL29557476 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL21981237 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL295431 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL31083493 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL6226433 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
Hydrochloric Acid SCHEMBL1567843 0.83 ALDH1A1 (0.56) ALDH1A1GRM8GRM4MAPTKDM4E
Hydrochloric Acid SCHEMBL29399068 0.83 ALDH1A1 (0.56) ALDH1A1GRM8GRM4MAPTKDM4E

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
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
US-20250320181-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS ARTIZAN BIOSCIENCES INC (US) 2025-10-16 US disclosed
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists BAYER AKTIENGESELLSCHAFT (DE) 2025-08-26 US disclosed
US-20250257145-A1 ADAMTS Binding Immunoglobulins SANOFI (FR) 2025-08-14 US disclosed
EP-4545553-A2 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND ShangPharma Innovation Inc. (US) 2025-04-30 EP disclosed
US-12209136-B2 ADAMTS binding immunoglobulins MERCK PATENT GMBH (DE) 2025-01-28 US disclosed
US-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2024-12-26 US disclosed
US-12173086-B2 Alpha-v beta-6 integrin ligands and uses thereof Arrowhead Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
EP-3630847-B1 ADAMTS BINDING IMMUNOGLOBULINS MERCK PATENT GMBH (DE) 2024-09-04 EP disclosed
EP-4405330-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2024-07-31 EP disclosed
EP-4058448-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
EP-4058446-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
US-20220289860-A1 ADAMTS Binding Immunoglobulins ABLYNX NV (BE) 2022-09-15 US disclosed
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2022-08-30 US disclosed
US-20220242908-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2022-08-04 US disclosed
US-20220213142-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2022-07-07 US disclosed
EP-4013860-A1 CASPASE-2 VARIANTS Boehringer Ingelheim RCV GmbH & Co KG (AT) 2022-06-22 EP disclosed
EP-3981780-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF Arrowhead Pharmaceuticals, Inc. (US) 2022-04-13 EP disclosed
WO-2022056369-A2 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2022-03-17 WO disclosed
US-20220024975-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-01-27 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-20220024975-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF ITGAV, ITGA6, ITGB6 ALDH1A1 2400/4885GRM8 3216/4885GRM4 3087/4885
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound KISS1R, VIP, NPY1R ALDH1A1 4326/4885GRM8 885/4885GRM4 2679/4885
US-20250320181-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, STMN1 ALDH1A1 4878/4885GRM8 3689/4885GRM4 4518/4885
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists ADAMTS7, MMP7, ADAM17 ALDH1A1 3828/4885GRM8 2475/4885GRM4 2866/4885
US-20220213142-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, SSTR3 ALDH1A1 4826/4885GRM8 402/4885GRM4 1031/4885
US-20220242908-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, NPY1R, GLP1R ALDH1A1 4788/4885GRM8 89/4885GRM4 1415/4885
US-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI ALDH1A1 4832/4885GRM8 3842/4885GRM4 4478/4885
US-12173086-B2 Alpha-v beta-6 integrin ligands and uses thereof ITGAV, ITGA6, ITGB6 ALDH1A1 2400/4885GRM8 3216/4885GRM4 3087/4885

“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.