SCHEMBL331971

SCHEMBL331971

O=C1N=[C]Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 2/20 0.34
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
TDP2 O95551 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34

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
SCHEMBL819265 0.69
SCHEMBL1451688 0.67 MAOA (0.46) MAOAMAOBCES1BCHEACHE
SCHEMBL61808 0.67 MAOA (0.44) MAOAMAOBCES1BCHEACHE
SCHEMBL3922537 0.64 MAOA (0.42) MAOAMAOBCES1BCHEACHE
SCHEMBL624689 0.64 MEN1 (0.39) MAOAMAOBCES1BCHEKMT2A
SCHEMBL2138630 0.64 MAOA (0.52) MAOAMAOBCES1BCHEACHE
SCHEMBL8487770 0.64 MAOA (0.43) MAOAMAOBCES1BCHEACHE
SCHEMBL51552 0.64 MAOA (0.41) MAOAMAOBCES1BCHEACHE
SCHEMBL57213 0.64 CA12 (0.42) MAOAMAOBCES1BCHEACHE
SCHEMBL29824315 0.64 CA12 (0.42) MAOAMAOBCES1BCHEACHE

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 1048 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208935-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-06-27 US claimed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO claimed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP claimed
EP-4326712-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES The Regents of The University of California (US) 2024-02-28 EP claimed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO claimed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US claimed
EP-4157811-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS McMaster University (CA) 2023-04-05 EP claimed
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
WO-1996011196-A1 PYRAZOLYLMETHYL-THIAZOLIDINES USEFUL AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP claimed
US-5258511-A Pyrazoloazepinones and methods of using such pyrazoloazepinones to dye synthetic fibers and to pigment pastes, paints, printing inks, colored paper and colored macromolecular substances BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US claimed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO claimed
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP claimed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US claimed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP claimed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP claimed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO claimed

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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR MAOA 597/4885MAOB 779/4885CES1 591/4885
US-20240208935-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES PSEN2, PSEN1, SNCA MAOA 639/4885MAOB 684/4885CES1 3670/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR MAOA 597/4885MAOB 779/4885CES1 591/4885

“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.