SCHEMBL1019299

SCHEMBL1019299

COc1ccc(C)cc1N=C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 1/20 0.56
ACHE P22303 1/20 0.50
MPI P34949 1/20 0.43
KMT2A Q03164 5/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
TRPA1 O75762 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL29648847 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL5252562 0.85 ALDH1A1 (0.71) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL5891689 0.83 CYP3A4 (0.73) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL8563749 0.82 ALDH1A1 (0.41) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL29510769 0.81 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL29538723 0.81 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDMPI
SCHEMBL374346 0.81 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDMPI
SCHEMBL124245 0.81 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL1020510 0.81 ACHE (0.50) CYP3A4ALDH1A1TDP1HPGDACHE
SCHEMBL8699568 0.81 ALDH1A1 (0.40) CYP3A4ALDH1A1TDP1HPGDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250145617-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF WASHINGTON UNIVERSITY 2025-05-08 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
CN-118873522-A Application of isothiocyanate compound 无锡杰西医药股份有限公司 2024-11-01 CN disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
CN-113262218-B Use of isothiocyanate compounds 无锡杰西医药股份有限公司 2024-06-18 CN disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO 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
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
US-4634707-A 5-Pyrimidinecarboxamides and treatment of leukemia and tumors therewith UNIROYAL CHEMICAL COMPANY (US) 1987-01-06 US disclosed
US-4250319-A RIPENER FOR SUGARCANE W. R. GRACE & CO. (US) 1981-02-10 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4013681-A SUGAR CANE RIPENERS HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1977-03-22 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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 (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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885ALDH1A1 4150/4885TDP1 1868/4885
US-20250145617-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF SIGMAR1, TMEM97, AIFM2 CYP3A4 1883/4885ALDH1A1 1104/4885TDP1 4797/4885

“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.