SCHEMBL2206983

SCHEMBL2206983

O=[N+]([O-])c1ccccc1N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.68
ALDH1A1 P00352 8/20 0.61
CYP1A2 P05177 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 12/20 0.61
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C9 P11712 2/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PKM P14618 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL30779614 1.00 CTSB (0.68) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3435076 0.94 CTSB (0.65) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL1274938 0.87 HTT (0.73) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3435490 0.85 CTSB (0.52) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL1124142 0.84 CASP1 (0.56) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL1124008 0.84 CASP1 (0.56) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL16943039 0.84 CTSB (0.57) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3651950 0.84 CTSB (0.57) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL27888685 0.84 CTSB (0.57) CTSBALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3799173 0.84 CTSB (0.65) CTSBALDH1A1CYP1A2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108339551-A A kind of preparation method of novel antibacterial medicine linezolid intermediate 邵宏超 2018-07-31 CN claimed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-4168151-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-09-18 US disclosed
US-4153443-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-05-08 US disclosed
US-4133673-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4126442-A O-Phosphoroamidophenylmorpholine compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORP. (US) 1978-11-21 US disclosed
US-4123251-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4094663-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-06-13 US disclosed
US-4094662-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-06-13 US disclosed
US-4049422-A Herbicidal morpholinobenzimidazoles UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1977-09-20 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 (4 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 CTSB 3436/4885ALDH1A1 1138/4885CYP1A2 3098/4885
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 CTSB 3248/4885ALDH1A1 1225/4885CYP1A2 430/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 CTSB 3436/4885ALDH1A1 1138/4885CYP1A2 3098/4885
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins APP, BACE1, PSEN1 CTSB 421/4885ALDH1A1 2201/4885CYP1A2 974/4885

“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.