SCHEMBL596168

SCHEMBL596168

Nc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
TDP1 Q9NUW8 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
TSHR P16473 2/20 0.62
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 1/20 0.62
MCL1 Q07820 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 2/20 0.52
GPR35 Q9HC97 1/20 0.50
MPI P34949 1/20 0.49

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
SCHEMBL9378154 0.95 MAPT (0.58) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL19511923 0.94 MAPT (0.62) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL3243151 0.92 MAPT (0.60) MAPTTDP1ALDH1A1MEN1KMT2A
Pyrazine SCHEMBL27720028 0.88 MAPT (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL3975452 0.87 MAPT (0.56) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL10488867 0.86 TSHR (0.57) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8406658 0.86 MAPT (0.57) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL13609636 0.86 ALDH1A1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
Bromide SCHEMBL4266547 0.84 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL7653551 0.83 ALDH1A1 (0.53) MAPTTDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940780-B Tetra-amide nucleating agent and polypropylene composition 朴蓝聚烯烃科技发展(上海)有限公司 2023-06-30 CN claimed
CN-114940652-A Tetraaminobenzene derivative and preparation method thereof 朴蓝聚烯烃科技发展(上海)有限公司 2022-08-26 CN claimed
US-8158830-B1 Integrated process for the preparation of tetraaminobenzene E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-17 US claimed
US-8143450-B1 Process for the preparation of derivatives of tetraaminobenzene E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-27 US claimed
US-8071812-B1 Process for the synthesis of 1,3-diamino-4,6-dinitrobenzene E.I DU PONT DE NEMOURS & COMPANY (US) 2011-12-06 US claimed
EP-3238815-B1 COMPOSITE SEMIPERMEABLE MEMBRANE TORAY INDUSTRIES (JP) 2026-01-28 EP disclosed
CN-119771398-A Catalyst, preparation method thereof and application thereof in synthesis of 2,3, 6-triamino-5-nitropyridine 中国石油化工股份有限公司 2025-04-08 CN disclosed
CN-118878536-B Pyrrolo [4,3,2-de ] quinoline derivative 齐鲁师范学院 2025-01-03 CN disclosed
CN-118878536-A Pyrrolo [4,3,2-de ] quinoline derivative 齐鲁师范学院 2024-11-01 CN disclosed
CN-118063325-A Method for synthesizing 1,2,4, 5-tetraaminobenzene hydrochloride 常州大学 2024-05-24 CN disclosed
CN-116666897-A Diaphragm material for battery 朴烯晶新能源材料(上海)有限公司 2023-08-29 CN disclosed
CN-114940780-B Tetra-amide nucleating agent and polypropylene composition 朴蓝聚烯烃科技发展(上海)有限公司 2023-06-30 CN disclosed
WO-2011084810-A2 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 WO disclosed
WO-2011084762-A2 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 WO disclosed
US-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 US disclosed
US-20090137814-A1 Synthesis of diaminodinitropyridine DUPONT SAFETY & CONSTRUCTION, INC. 2009-05-28 US disclosed
US-5811492-A HAVING EXCELLENT HEAT, FIRE, CHEMICAL AND IMPACT RESISTANCE, MECHANICAL STRENGTH, AND MOLDABILITY; CONTAINING AMINO GROUPS, HYDROGENATED BLOCK COPOLYMER AND A POLYAMIDE RESIN GENERAL ELECTRIC COMPANY (US) 1998-09-22 US disclosed
US-4954638-A ANTIALLERGENS, ANTIINFLAMMATORY MERCK FROSST CANADA, INC. (CA) 1990-09-04 US disclosed
US-4767745-A 1,5-DIFLUORO-2,4-DINITRO BENZENE AND 6-N-MALEIMIDOHEXANOIC ACID CHLORIDE AS COUPLING AGENTS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1988-08-30 US disclosed
EP-0179959-A1 Conjugates of leukotrienes with proteins MERCK FROSST CANADA INC. (CA) 1986-05-07 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 (2 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-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials PBRM1, PUF60, PARG MAPT 518/4885TDP1 1642/4885ALDH1A1 2542/4885
US-20090137814-A1 Synthesis of diaminodinitropyridine ODC1, NOS1, SRM MAPT 1779/4885TDP1 1292/4885ALDH1A1 1867/4885

“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.