SCHEMBL628983

SCHEMBL628983

N=C(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
NQO2 P16083 1/20 0.62
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
CES1 P23141 1/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
IDO1 P14902 2/20 0.55
F10 P00742 1/20 0.54
PLAU P00749 1/20 0.54
PLAT P00750 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
Hydrochloric Acid SCHEMBL2148501 0.98 TSHR (0.64) TSHRNQO2LMNAGAAPRSS1
Guanidine SCHEMBL27922792 0.86 TSHR (0.64) TSHRLMNAGAAPRSS1PRSS2
SCHEMBL21665459 0.82 PRMT1 (0.71) PRSS1F10PLAU
SCHEMBL14599534 0.81 F2 (0.71) PRSS1PRSS2PRSS3CA1CA2
SCHEMBL260727 0.80 TSHR (1.00) TSHRLMNAGAACES1CA1
Terephthalamide SCHEMBL27950892 0.80 TSHR (1.00) TSHRLMNAGAACES1CA1
Urea SCHEMBL27805729 0.79 TSHR (0.74) TSHRLMNAGAACES1CA1
SCHEMBL10994348 0.78 ALDH1A1 (0.67) TSHRLMNAGAACES1CA1
SCHEMBL16089346 0.78 MAPK1 (0.67) TSHRNQO2LMNACES1CA1
SCHEMBL874833 0.78 TSHR (0.67) TSHRLMNAGAACES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119674190-A Organic-inorganic composite polymer solid electrolyte and preparation method and application thereof 山东创鲁先进电池科技有限公司 2025-03-21 CN claimed
CN-116162064-A Synthesis method of dabigatran etexilate special intermediate 宿迁盛基医药科技有限公司 2023-05-26 CN claimed
CN-105330568-B Preparation method for p-aminobenzamidine hydrochloride 山东省医学科学院药物研究所 2017-05-10 CN claimed
CN-105330568-A Preparation method for p-aminobenzamidine hydrochloride INST OF MATERIA MEDICA SHANDONG ACADEMY OF MEDICAL SCIENCES 2016-02-17 CN claimed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-06-29 US disclosed
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-06-29 US disclosed
CN-116162064-A Synthesis method of dabigatran etexilate special intermediate 宿迁盛基医药科技有限公司 2023-05-26 CN disclosed
EP-4147700-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES FOR USE IN THE TREATMENT OF SICKLE CELL DISEASE LQT Therapeutics Inc. (CA) 2023-03-15 EP disclosed
US-11155521-B2 Cannabinoid receptor mediating compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-10-26 US disclosed
EP-2919779-B1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS US HEALTH (US) 2021-01-06 EP disclosed
US-4259482-A NON-SPECIFIC DEPRESSION OF CENTRAL NERVOUS SYSTEM MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4206142-A REACTING A STYRYLSULFONYLAMIDINE WITH A BASE MEAD JOHNSON & COMPANY (US) 1980-06-03 US disclosed
US-4130663-A ANTITHROMBOGENIC, ANTIHYPERTENSIVE MEAD JOHNSON & COMPANY (US) 1978-12-19 US disclosed
US-4096183-A Styrylsulfonylamidines MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4052455-A ANALGESICS, BLOOD PLATELET AGGREGATION INHIBITORS MEAD JOHNSON & COMPANY (US) 1977-10-04 US disclosed
US-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 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 (3 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-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 TSHR 606/4885NQO2 4269/4885LMNA 4242/4885
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 TSHR 606/4885NQO2 4269/4885LMNA 4242/4885
US-11155521-B2 Cannabinoid receptor mediating compounds CNR1, CNR2, GPR18 TSHR 611/4885NQO2 4511/4885LMNA 4369/4885

“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.