SCHEMBL26627240

SCHEMBL26627240

CC(C)Cc1cc(Cl)nc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
XDH P47989 1/20 0.33
HSP90AB1 P08238 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PNMT P11086 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
FAAH O00519 1/20 0.32
ALOX5AP P20292 2/20 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
SCHEMBL24252511 0.82 TAS1R3 (0.35) HSP90AB1FAAHLMNA
SCHEMBL5748492 0.77 HRH4 (0.43) ESR1KDM4ENOS3NOS1NOS2
SCHEMBL1222163 0.76 ESR1 (0.36) ESR1KDM4ENOS3NOS1NOS2
SCHEMBL1312347 0.76 GABRA1 (0.46) ESR1GABRA1GABRB2AKR1C2FAAH
SCHEMBL5018736 0.75 PNMT (0.43) GABRA1GABRB2AKR1C2AKR1C1PNMT
SCHEMBL5751176 0.74 GRIN2D (0.41) ESR1GABRA1GABRB2NOS3NOS1
SCHEMBL10159790 0.74 RECQL (0.57) GABRA1GABRB2KDM4ENOS3NOS1
SCHEMBL10727080 0.73 KDM4E (0.41) ESR1GABRA1GABRB2KDM4ENOS3
SCHEMBL1119955 0.73 NOS2 (0.50) ESR1GABRA1GABRB2KDM4ENOS3
SCHEMBL2056128 0.72 SMN1; SMN2 (0.42) KDM4ENOS3NOS1NOS2HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 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 (1 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-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR ESR1 3869/4885GABRA1 3313/4885GABRB2 3291/4885

“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.