SCHEMBL468372

SCHEMBL468372

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 7/20 0.56
GAA P10253 1/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HCAR3 P49019 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 3/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR35 Q9HC97 1/20 0.49
PKM P14618 1/20 0.48
THRB P10828 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
SCHEMBL28504439 0.90 MAPT (0.53) ALDH1A1MAPTGAACYP1A2KDM4E
SCHEMBL17038122 0.86 MAPT (0.56) ALDH1A1MAPTGAAKDM4EHCAR3
SCHEMBL5800525 0.86 MAPT (0.53) ALDH1A1MAPTGAACYP1A2KDM4E
SCHEMBL7349997 0.85 MAPT (0.62) ALDH1A1MAPTGAACYP1A2KDM4E
SCHEMBL29208565 0.84 CXCR1 (0.56) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL2421954 0.84 MAPT (0.60) ALDH1A1MAPTGAAKDM4EHCAR3
SCHEMBL7482776 0.83 ALDH1A1 (0.60) ALDH1A1MAPTCYP1A2HCAR3POLB
SCHEMBL622263 0.83 ALDH1A1 (0.64) ALDH1A1MAPTHCAR3KMT2AMAPK1
SCHEMBL16423449 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHCAR3KMT2A
SCHEMBL16423450 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHCAR3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
US-4946761-A POLYMER CONTAINING CARBOXYL END GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1990-08-07 US claimed
CN-119661858-B Activatable semiconductor polymer and preparation method and application thereof Jiageng Innovation Laboratory (CN) 2026-05-26 CN disclosed
US-12584921-B2 Partitioning systems and methods for determining multiple types of cancers CLEVELAND DIAGNOSTICS, INC. (US) 2026-03-24 US disclosed
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
EP-4638493-A1 C1Q ANTIBODIES AND USES THEREOF Academisch Ziekenhuis Leiden (h.o.d.n. LUMC) (NL) 2025-10-29 EP disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF 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-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-4946761-A POLYMER CONTAINING CARBOXYL END GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1990-08-07 US disclosed
WO-1990005749-A1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed
WO-1990005746-A1 CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed
EP-0353531-A1 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP disclosed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed
EP-0012983-B1 DIAMINOPHENYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF AMINOBENZIMIDAZOLONES-(2) HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-31 EP disclosed
US-4246196-A CHEMICAL INTERMEDIATES IN THE PRODUCTION OF AMINOBENZIMIDAZOLONES HOECHST AG. (DE) 1981-01-20 US disclosed
EP-0012983-A1 Diaminophenyl ureas, process for their preparation and their use in the preparation of aminobenzimidazolones-(2) HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 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 (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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT ALDH1A1 3639/4885MAPT 194/4885GAA 3358/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 ALDH1A1 390/4885MAPT 1013/4885GAA 2661/4885
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF JAK2, JAK1, CHMP4B ALDH1A1 1023/4885MAPT 605/4885GAA 3593/4885
US-12584921-B2 Partitioning systems and methods for determining multiple types of cancers TP53, YWHAZ, CTNND1 ALDH1A1 1399/4885MAPT 3115/4885GAA 3877/4885

“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.