SCHEMBL631818

SCHEMBL631818

CCNCc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.59
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
BLM P54132 1/20 0.45
PLEC Q15149 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45

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
Hydrochloric Acid SCHEMBL28571766 0.98 CHRM2 (0.57) CHRM2KMT2AMEN1MAPTKDM4E
SCHEMBL9180552 0.89 LMNA (0.52) CHRM2KMT2AMEN1KDM4EALDH1A1
SCHEMBL842161 0.87 CHRM2 (0.67) CHRM2KMT2AMEN1MAPTKDM4E
Toluene SCHEMBL11765535 0.84 MEN1 (0.54) CHRM2KMT2AMEN1MAPTKDM4E
SCHEMBL12437138 0.83 LMNA (0.65) CHRM2KMT2AMEN1MAPTKDM4E
SCHEMBL10052932 0.82 LMNA (0.64) CHRM2KMT2AMEN1MAPTALDH1A1
SCHEMBL4919923 0.82 CHRM2 (0.75) CHRM2KMT2AMEN1MAPTKDM4E
SCHEMBL6397368 0.81 CHRM2 (0.67) CHRM2KMT2AMEN1MAPTKDM4E
P-Xylene SCHEMBL28771255 0.81 ACHE (0.53) CHRM2MAPTKDM4EALDH1A1POLB
SCHEMBL13972835 0.80 CA12 (0.69) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
CN-114031477-B Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2023-12-05 CN disclosed
CN-114031477-A Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2022-02-11 CN disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
WO-2020127644-A1 BI-FUNCTIONAL NANOHYBRIDS UNIVERSITE DE BOURGOGNE (FR) 2020-06-25 WO disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-4517012-A ANTIDOTESW STAUFFER CHEMICAL COMPANY (US) 1985-05-14 US disclosed
US-4415353-A A DICHLOROACETAMIDE AS PLANT SAFENING AGENT FOR THIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4415352-A N-FURYLMETHYL DICHLOROACETAMIDES AS PLANT SAFENING AGENTS FOR DITHIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4392884-A CONTAINING PLANT SAFENING AGENTS STAUFFER CHEMICAL COMPANY (US) 1983-07-12 US disclosed
US-4341550-A THIOLCARBAMATE WITH PLANT SAFENING AGENT STAUFFER CHEMICAL COMPANY (US) 1982-07-27 US disclosed
US-4276078-A HALOGENATED AMIDE ANTIDOTES FOR THIOCARBAMYL HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1981-06-30 US disclosed
US-4269618-A COMPRISING A THIOLCARBAMATE AND AN ANTIDOTE OF A HALOALKYLAMIDO COMPOUND; COATING CROP SEEDS; APPLYING TO THE SOIL STAUFFER CHEMICAL COMPANY (US) 1981-05-26 US disclosed
US-4137070-A CONTAINING HERBICIDAL ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1979-01-30 US disclosed
US-4124376-A HALOACETANILIDE HERBICIDE AND HALO-N,N-BISALKENYLAMIDE NONPHYTOTOXIC ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1978-11-07 US disclosed
US-4021224-A THIOCARBAMATE, WEED PEST CONTROL, ANTIDOTES STAUFFER CHEMICAL COMPANY (US) 1977-05-03 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-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 CHRM2 3848/4885KMT2A 3825/4885MEN1 3514/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 CHRM2 4682/4885KMT2A 2932/4885MEN1 3710/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 CHRM2 640/4885KMT2A 3517/4885MEN1 2752/4885

“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.