SCHEMBL3347418

SCHEMBL3347418

CN(C)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
TSHR P16473 3/20 0.62
HTT P42858 2/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
LMNA P02545 1/20 0.53
ATM Q13315 1/20 0.53
KMO O15229 1/20 0.52

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
SCHEMBL30568852 1.00 ALDH1A1 (0.67) ALDH1A1CES2CES1TP53TSHR
SCHEMBL306625 0.84 ALDH1A1 (0.59) ALDH1A1CES2CES1TP53TSHR
SCHEMBL12498251 0.83 ERN1 (0.57) ALDH1A1CES2CES1HTTMAPT
SCHEMBL11783898 0.83 TSHR (0.67) ALDH1A1CES2CES1TP53TSHR
SCHEMBL24497088 0.82 ALDH1A1 (0.61) ALDH1A1CES2CES1TP53TSHR
SCHEMBL11362571 0.82 OPRM1 (0.65) ALDH1A1CES2CES1TP53TSHR
SCHEMBL4604584 0.82 ATM (0.63) ALDH1A1CES2CES1TP53TSHR
SCHEMBL3933924 0.82 ALDH1A1 (0.56) ALDH1A1CES2CES1TP53TSHR
SCHEMBL12263647 0.82 ALDH1A1 (0.60) ALDH1A1CES2CES1TP53TSHR
SCHEMBL29636506 0.81 ALDH1A1 (0.60) ALDH1A1CES2CES1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120554814-A Antibacterial moisture-permeable polyester material and preparation method thereof 张家港和创新材料科技有限公司 2025-08-29 CN disclosed
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-06-12 US disclosed
US-12220415-B2 WEE1 kinase inhibitors and methods of treating cancer using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-02-11 US disclosed
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 EP disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
CN-116354889-A Process for preparing benzimidazole derivatives 怡诺安有限公司 2023-06-30 CN disclosed
CN-116143779-A Compound of hematopoietic progenitor cell kinase 1 inhibitor, preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US disclosed
EP-0807104-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT 2C? RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-11-19 EP disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
WO-1996023769-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT2C RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 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-12220415-B2 WEE1 kinase inhibitors and methods of treating cancer using the same WEE1, WEE2, NME1 ALDH1A1 3933/4885CES2 2891/4885CES1 1348/4885
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 ALDH1A1 3933/4885CES2 2891/4885CES1 1348/4885

“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.