SCHEMBL1334549

SCHEMBL1334549

NCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
TSHR P16473 1/20 0.58
KCNJ1 P48048 2/20 0.54
KCNH2 Q12809 2/20 0.53
IDO1 P14902 3/20 0.52
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MC4R P32245 1/20 0.46
CHRM2 P08172 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
Bromide SCHEMBL10353479 0.98 LOXL2 (0.60) LOXL2TSHRKCNJ1KCNH2IDO1
Hydrochloric Acid SCHEMBL17260639 0.98 LOXL2 (0.60) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL15807619 0.98 LOXL2 (0.60) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL43299 0.94 LOXL2 (0.64) LOXL2TSHRKCNJ1KCNH2IDO1
Hydrochloric Acid SCHEMBL7504059 0.92 LOXL2 (0.62) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL18913824 0.90 TSHR (0.69) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL335044 0.86 LOXL2 (0.69) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL30758863 0.86 TSHR (0.69) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL447386 0.85 TSHR (0.58) LOXL2TSHRKCNJ1KCNH2IDO1
SCHEMBL16572121 0.84 KCNH2 (0.57) LOXL2TSHRKCNJ1KCNH2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US disclosed
EP-4065590-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS Aurigene Discovery Technologies Limited (IN) 2022-10-05 EP disclosed
CN-114728998-A Sulfonamide compounds targeting CD73 and adenosine receptors 奥瑞基尼探索技术有限公司 2022-07-08 CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
CN-106883224-B 1 inhibitor of nitrogen-containing benzoheterocycle class indoles amine -2,3- dioxygenase and application thereof 中国药科大学 2019-10-22 CN disclosed
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO disclosed
WO-2004051221-A2 MEASUREMENT OF TOTAL REACTIVE ISOCYANATE GROUPS IN SAMPLES USING BIFUNCTIONAL NUCLEOPHILES SUCH AS 1,8-DIAMINONAPHTHALENE (DAN) THE GOVERNMENT OF THE UNITED STATES OF AMERICA (US) 2004-06-17 WO disclosed
US-6656737-B1 Reacting 9-anthracenemethanol, pyridine, and p-nitrophenyl chloroformate; reacting the product with an amine, especially piperazine, to form a product that can be used to determine the total amount of isocyanate in a sample THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-02 US disclosed
US-6290923-B1 CONTAMINANT-CONTAINING AIR IS TAKEN UP FROM THE IMMEDIATE ENVIRONMENT OF A POLYURETHANE FOAM PROCESSING LINE COMPRISING PASSING THE ORGANIC CONTAMINANT-CONTAINING AIR THROUGH A PACKED TOWER SCRUBBER MATERIAL WM. T. BURNETT & CO. 2001-09-18 US disclosed
EP-1077962-A2 ISOCYANATE DERIVATIZING AGENT AND METHODS OF PRODUCTION AND USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by The Secretary, Department of Health and Human Services (US) 2001-02-28 EP disclosed
WO-1999058517-A2 ISOCYANATE DERIVATIZING AGENT AND METHODS OF PRODUCTION AND USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-11-18 WO disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
US-4336269-A ANTIARRHYTHMIA ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
US-4277501-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1981-07-07 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 (6 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 LOXL2 1404/4885TSHR 2393/4885KCNJ1 4460/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 LOXL2 3586/4885TSHR 1950/4885KCNJ1 28/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS LOXL2 3663/4885TSHR 1353/4885KCNJ1 1210/4885
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 LOXL2 3751/4885TSHR 134/4885KCNJ1 1515/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 LOXL2 3970/4885TSHR 480/4885KCNJ1 1912/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 LOXL2 4490/4885TSHR 762/4885KCNJ1 4321/4885

“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.