SCHEMBL29526232

SCHEMBL29526232

O=[N+]([O-])c1cccc(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
LMNA P02545 2/20 0.67
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NFE2L2 Q16236 1/20 0.58
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
PGR P06401 1/20 0.55
ACHE P22303 1/20 0.55
ALOX15 P16050 1/20 0.55
TP53 P04637 1/20 0.55
PTPRC P08575 1/20 0.54

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
SCHEMBL2009026 1.00 TSHR (0.67) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL6804031 0.98 TSHR (0.64) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL30469335 0.98 TSHR (0.64) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL7838339 0.98 LMNA (0.64) TSHRLMNAALDH1A1NPC1RAB9A
Iodide SCHEMBL27148619 0.98 TSHR (0.64) TSHRLMNAALDH1A1NPC1RAB9A
Formaldehyde SCHEMBL28138818 0.96 TSHR (0.61) TSHRLMNAALDH1A1NPC1RAB9A
Dinitrophenylene SCHEMBL27704073 0.93 TSHR (0.77) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL6738366 0.93 TSHR (0.76) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL936227 0.92 LMNA (0.57) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL28471286 0.91 TSHR (0.73) TSHRLMNAALDH1A1NPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 CN claimed
US-20250268926-A1 METHOD AND COMPOSITION FOR TREATING, ALLEVIATING OR PREVENTING A DISEASE OR CONDITION CAUSED BY AIR POLLUTANT HONG KONG BAPTIST UNIVERSITY (CN) 2025-08-28 US disclosed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
CN-118146102-A Method for synthesizing diaryl amine or triarylamine by using nitroaromatic hydrocarbon as raw material 广西大学 2024-06-07 CN disclosed
CN-117164879-A Phenyl-1, 3, 5-tri-3-pyridine formaldehyde imine covalent organic framework material matched with divalent transition metal, and preparation method and catalytic application thereof 南京工业大学 2023-12-05 CN disclosed
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 CN disclosed
CN-116635021-A Opioid-free compositions for narcotics applications and related methods and systems 威培沃克斯护理麻醉公司 2023-08-22 CN disclosed
CN-115838372-A Triphenylethylene derivative and organic electroluminescent device containing same 广东省大湾区华南理工大学聚集诱导发光高等研究院 2023-03-24 CN disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-115006537-A Compositions and uses of alpha-adrenergic agents 利维申制药有限公司 2022-09-06 CN disclosed
CN-114507252-A Synthesis method of novel aryl silane compound 广西大学 2022-05-17 CN 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-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TSHR 1878/4885LMNA 3611/4885ALDH1A1 3115/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TSHR 1878/4885LMNA 3611/4885ALDH1A1 3115/4885

“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.