SCHEMBL5078618

SCHEMBL5078618

Cn1cc(C(=O)Nc2ccccc2CCC(C)(C)C)c(C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.38
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ATM Q13315 1/20 0.35
DHODH Q02127 2/20 0.35
CFTR P13569 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 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
SCHEMBL30753925 0.81 ATM (0.44) SLC16A3ATMDHODH
SCHEMBL169389 0.81 ATM (0.44) SLC16A3ATMDHODH
SCHEMBL3105571 0.81 LMNA (0.31) LMNARXFP1
SCHEMBL14176574 0.80 DHODH (0.38) LMNAATMDHODHCFTR
SCHEMBL15132715 0.76 ATM (0.62) SLC16A3LMNATP53ATM
SCHEMBL5078617 0.75 DHODH (0.39) LMNAATMDHODHCFTR
SCHEMBL12893266 0.74 SLC16A3 (0.64) SLC16A3LMNATP53RXFP1ATM
SCHEMBL4671630 0.74 SMN1; SMN2 (0.54) SLC16A3LMNATP53RXFP1
SCHEMBL12893269 0.72 ATM (0.42) LMNATP53RXFP1ATMDHODH
SCHEMBL17338118 0.71 LMNA (0.51) SLC16A3NR1H4LMNADRD1HRH2

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-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 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-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI DPM1, MGAM, SUCLG1 SLC16A3 4032/4885NR1H4 4819/4885LMNA 4814/4885
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi DPM1, MGAM, SUCLG1 SLC16A3 4032/4885NR1H4 4819/4885LMNA 4814/4885

“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.