SCHEMBL250143

SCHEMBL250143

CN(C)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 1/20 0.58
HPGD P15428 1/20 0.53
SLC6A4 P31645 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL30524090 1.00 ALDH1A1 (0.62) ALDH1A1TSHRHPGDSLC6A4BCHE
SCHEMBL27409564 0.85 ALDH1A1 (0.59) ALDH1A1TSHRHPGDBCHEACHE
SCHEMBL5913331 0.84 TDP1 (0.60) ALDH1A1TSHRHPGDSLC6A4HSD17B10
SCHEMBL7262800 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHPGDBCHEACHE
SCHEMBL248469 0.82 SLC6A4 (0.49) ALDH1A1TSHRHPGDSLC6A4SIGMAR1
SCHEMBL2371999 0.81 BCHE (0.60) ALDH1A1TSHRHPGDBCHEACHE
SCHEMBL20495062 0.81 ALDH1A1 (0.58) ALDH1A1TSHRBCHEACHEKMT2A
SCHEMBL2634579 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHPGDKMT2A
SCHEMBL819475 0.80 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL26332592 0.80 ALDH1A1 (0.54) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12310944-B2 Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-05-27 US disclosed
US-20230165833-A1 Selective Butyrylcholinesterase Inhibitor or Pharmaceutically Acceptable Salt Thereof, Preparation Method and Use Thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-06-01 US disclosed
WO-2021042410-A1 SELECTIVE BUTYRYLCHOLINESTERASE INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国药科大学 2021-03-11 WO disclosed
CN-110627767-B Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2020-08-25 CN disclosed
CN-110627767-A Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2019-12-31 CN disclosed
US-RE47122-E1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA University—Industry Collaboration Foundation (KR) 2018-11-13 US disclosed
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed
EP-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed
EP-2947081-A1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors Ewha University-Industry Collaboration Foundation (KR) 2015-11-25 EP disclosed
EP-2588479-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS UNIV EWHA IND COLLABORATION (KR) 2015-03-04 EP disclosed
EP-2327677-A1 Mono-nitration of aromatic compounds F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 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-20230165833-A1 Selective Butyrylcholinesterase Inhibitor or Pharmaceutically Acceptable Salt Thereof, Preparation Method and Use Thereof BCHE, ACHE, BACE1 ALDH1A1 378/4885TSHR 4648/4885HPGD 1862/4885
US-12310944-B2 Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and use thereof BCHE, ACHE, BACE1 ALDH1A1 399/4885TSHR 4677/4885HPGD 1583/4885

“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.