SCHEMBL29615012

SCHEMBL29615012

COC(=O)c1nc(C2CC2)nc(N)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.49
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 3/20 0.35
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE4D Q08499 1/20 0.32
NQO2 P16083 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL121762 1.00 PDE10A (0.49) PDE10ANPSR1KDM4EPKMALDH1A1
Hydrochloric Acid SCHEMBL28163034 0.98 PDE10A (0.47) PDE10ANPSR1KDM4EPKMALDH1A1
SCHEMBL718159 0.86 PDE10A (0.47) PDE10ANPSR1SLC6A3PDE4DTSHR
SCHEMBL720885 0.85 NPSR1 (0.40) PDE10ANPSR1ALDH1A1SLC6A3CHRM2
SCHEMBL1535606 0.84 PDE10A (0.49) PDE10ANPSR1KDM4EPKMALDH1A1
SCHEMBL2467064 0.84 PDE10A (0.45) PDE10ANPSR1KDM4EALDH1A1GAA
SCHEMBL1610754 0.84 PDE8B (0.40) PDE10AKDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL1535575 0.83 NPSR1 (0.41) PDE10ANPSR1KDM4EPKMALDH1A1
SCHEMBL10252045 0.83 PDE10A (0.50) PDE10ANPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3693834 0.82 MAPT (0.46) PDE10AALDH1A1L3MBTL1MEN1GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583826-B2 [(1,5-diphenyl-1H-1,2,4-triazol-3-yl)oxy]acetic acid derivatives and salts thereof, crop protection compositions comprising them, methods for producing them and use thereof as safeners BAYER AKTIENGESELLSCHAFT (DE) 2026-03-24 US disclosed
US-20240058782-A1 New Microcapsules Containing Active Substances BASF SE (DE) 2024-02-22 US disclosed
EP-4304354-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-01-17 EP disclosed
EP-4297892-A1 NEW MICROCAPSULES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-01-03 EP disclosed
EP-4258872-A1 MICROPARTICLE COMPOSITIONS COMPRISING TRIFLUDIMOXAZIN BASF SE (DE) 2023-10-18 EP disclosed
EP-4175474-A1 SYNERGISTIC HERBICIDE COMBINATIONS, COMPOSITIONS AND USE THEREOF UPL Corporation Limited (MU) 2023-05-10 EP disclosed
EP-4167740-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-26 EP disclosed
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
WO-2023034246-A1 COMPOSITIONS COMPRISING DIFFERENT DRIFT RETARDING AGENTS BAYER CROPSCIENCE LP (US) 2023-03-09 WO disclosed
WO-2023034245-A1 KIT FOR PREPARING HERBICIDAL APPLICATION MIXTURES BAYER CROPSCIENCE LP (US) 2023-03-09 WO disclosed
WO-2022189208-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2022-09-15 WO disclosed
WO-2022179911-A1 NEW MICROCAPSULES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2022-09-01 WO disclosed
WO-2022138821-A1 DISPERSIBLE CONCENTRATED AGROCHEMICAL FORMULATION 日産化学株式会社 2022-06-30 WO disclosed
WO-2022122526-A1 MICROPARTICLE COMPOSITIONS COMPRISING TRIFLUDIMOXAZIN BASF SE (DE) 2022-06-16 WO 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-20240058782-A1 New Microcapsules Containing Active Substances PLA2G2C, PHOSPHO1, PSPH PDE10A 1899/4885NPSR1 505/4885KDM4E 4050/4885
US-12583826-B2 [(1,5-diphenyl-1H-1,2,4-triazol-3-yl)oxy]acetic acid derivatives and salts thereof, crop protection compositions comprising them, methods for producing them and use thereof as safeners CBR3, CBR1, HACL2 PDE10A 3793/4885NPSR1 2967/4885KDM4E 4041/4885

“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.