SCHEMBL187452

SCHEMBL187452

O=[N+]([O-])c1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
HPRT1 P00492 1/20 0.58
TDP1 Q9NUW8 3/20 0.50
NCEH1 Q6PIU2 1/20 0.49
CASP6 P55212 1/20 0.49
CTSB P07858 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
S100A4 P26447 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HNF4A P41235 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2A6 P11509 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Hydrochloric Acid SCHEMBL28323697 0.98 TSHR (0.62) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL27833839 0.93 ALDH1A1 (0.70) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL10593100 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL28331998 0.91 HPRT1 (0.67) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL31162591 0.91 HPRT1 (0.67) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL122680 0.83 CYP3A4 (0.61) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL18600607 0.81 HPRT1 (0.51) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL1645671 0.80 ALDH1A1 (0.62) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL17987525 0.78 TSHR (0.62) TSHRALDH1A1CYP3A4HPRT1TDP1
SCHEMBL3071816 0.78 TSHR (0.62) TSHRALDH1A1CYP3A4HPRT1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070479-A Ultrasonic indicating device and method for monitoring ultrasonic treatment JP实验室股份有限公司 2026-05-19 CN claimed
EP-4549619-A1 PREPARATION OF AMINES BY HYDROGENATION OF NITRO COMPOUNDS USING HYDROGEN WITH LOW DEUTERIUM CONTENT BASF SE (DE) 2025-05-07 EP claimed
WO-2025090061-A1 ULTRASONIC INDICATOR DEVICE AND METHOD FOR MONITORING ULTRASONICATION JP LABORATORIES, INC. (US) 2025-05-01 WO claimed
WO-2025075611-A1 ULTRASONIC INDICATOR BASED ON EMULSION FORMATION JP LABORATORIES, INC. (US) 2025-04-10 WO claimed
CN-119285421-A Preparation method and application of solid organic reducing agent 内蒙古科技大学 2025-01-10 CN claimed
CN-118421101-B Modified asphalt special for high-performance porous graphite material and preparation method thereof 山东红点新材料有限公司 2024-10-01 CN claimed
CN-118712381-A Organic positive electrode of primary battery, and preparation method and application thereof 武汉大学 2024-09-27 CN claimed
CN-118421101-A Modified asphalt special for high-performance porous graphite material and preparation method thereof 山东红点新材料有限公司 2024-08-02 CN claimed
CN-114805079-B Method for continuously preparing dinitronaphthalene 宁夏瑞泰科技股份有限公司 2024-07-05 CN claimed
US-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES YE, ZHIBIN, DR. (CA) 2024-01-11 US claimed
EP-0225802-A2 Adhesion structures and method of producing the same IBIDEN CO, LTD. (JP) 1987-06-16 EP claimed
CN-85101596-A The manufacturing of non-sulfur aromatic firecracker 1986-04-10 CN claimed
CN-85101596-B Production of sulfur-free fragrant firecrackers 广东省南海红旗炮竹厂 1986-04-10 CN claimed
US-4511552-A TIME-RELEASE AGENTS COX JAMES P 1985-04-16 US claimed
US-4460717-A COATING FOUNDRY AGGREGATE WITH PHENOLIC RESIN CONTAINING AN AROMATIC COMPOUND SUMITOMO DUREZ COMPANY, LTD. (JP) 1984-07-17 US claimed
US-4412675-A Carbon spring and process for preparing the same MITSUBISHI PENCIL CO., LTD. (JP) 1983-11-01 US claimed
US-4261908-A Process for isolating aromatic dinitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US claimed
US-4053526-A PROCESS FOR ISOLATING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US claimed
US-4026944-A TREATING DINITRONAPHTHALENE WITH HYDROGEN, HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US claimed
US-3998893-A PROCESS FOR PREPARING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES NQO1, NOX4, NES TSHR 4587/4885ALDH1A1 981/4885CYP3A4 106/4885

“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.