SCHEMBL623608

SCHEMBL623608

CSc1ccccc1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 5/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL19712981 0.85 CYP3A4 (0.46) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL10408265 0.83 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL29716699 0.83 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL8937141 0.83 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL29808667 0.83 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL12004783 0.81 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL1895764 0.81 CYP3A4 (0.46) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL11380839 0.79 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL28264037 0.79 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL30940598 0.79 ALDH1A1 (0.47) CYP3A4TRPA1ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043636-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-07-23 US disclosed
US-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2024-01-04 US disclosed
EP-3245051-B1 METHOD FOR PRODUCING AN OPTICAL CAST BODY WITH HOLOGRAPHIC OPTICAL ELEMENT AND OPTICAL CAST BODY COVESTRO DEUTSCHLAND AG (DE) 2023-10-25 EP disclosed
CN-110914755-B Protective layer for photopolymers 科思创德国股份有限公司 2023-09-29 CN disclosed
US-11760765-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2023-09-19 US disclosed
WO-2023156484-A1 PHOTOPOLYMER COMPOSITIONS FOR THERMOSTABLE PHOTOPOLYMERS IN THE VISIBLE SPECTRAL RANGE COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
WO-2023156482-A1 THERMOSTABLE PHOTOPOLYMERS IN THE VISIBLE SPECTRAL RANGE AND PHOTOPOLYMER COMPOSITIONS CONTAINING SAME COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
CN-110325521-B Process for preparing triarylorganoborates 科思创德国股份有限公司 2023-08-22 CN disclosed
US-11640136-B2 System consisting of two UV-curing dry-transfer coating layers for the protection of a hologram in a photopolymer film composite COVESTRO DEUTSCHLAND AG (DE) 2023-05-02 US disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0638561-B1 Process for the production of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5530135-A REACTING ISOCYANATE COMPOUND WITH SODIUM AZIDE IN PRESENCE OF ALUMINUM CHLORIDE, FOLLOWED BY ADDITION OF WATER AND MINERAL ACID NIHON BAYER AGROCHEM K.K. (JP) 1996-06-25 US disclosed
EP-0638561-A1 Process for the production of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-02-15 EP disclosed
CN-1027030-C Fused heterocyclic compound-containing herbicides, process for production thereof and use thereof NISSAN CHEMICAL IND LTD (JP) 1994-12-21 CN disclosed
US-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 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-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES KMO, COASY, CYP3A4 CYP3A4 3/4885TRPA1 3174/4885ALDH1A1 2226/4885
US-12043636-B2 Method for producing triarylorganoborates KMO, COASY, CYP3A4 CYP3A4 3/4885TRPA1 3174/4885ALDH1A1 2226/4885
US-11760765-B2 Method for producing triarylorganoborates CYP3A4, CYP3A43, CYP4B1 CYP3A4 1/4885TRPA1 3133/4885ALDH1A1 1623/4885

“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.