SCHEMBL14214850

SCHEMBL14214850

CC(C)CCCc1sccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
STING1 Q86WV6 1/20 0.43
GAA P10253 1/20 0.40
IRAK4 Q9NWZ3 13/20 0.40
NTRK1 P04629 1/20 0.38

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
SCHEMBL3108919 0.94 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
SCHEMBL12798723 0.85 LMNA (0.52) LMNAPOLBSTING1GAAIRAK4
SCHEMBL3117837 0.85 LMNA (0.52) LMNAPOLBSTING1GAAIRAK4
SCHEMBL7457962 0.81 LMNA (0.55) LMNAPOLBSTING1GAAIRAK4
SCHEMBL14185462 0.81 LMNA (0.59) LMNAPOLBSTING1GAAIRAK4
Penthiopyrad SCHEMBL14364841 0.80 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
Penthiopyrad SCHEMBL14364842 0.80 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
Penthiopyrad SCHEMBL18701 0.80 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
SCHEMBL24736516 0.78 LMNA (0.52) LMNAPOLBSTING1GAAIRAK4
SCHEMBL3114583 0.78 IRAK4 (0.42) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113979-A1 Fungicidal Mixtures of Thiophene Derivative E.I. DUPONT DE NEMOURS AND COMPANY (US) 2008-05-15 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-20080113979-A1 Fungicidal Mixtures of Thiophene Derivative MRM1, CYP11A1, CYP11B1 LMNA 3537/4885POLB 1716/4885STING1 2507/4885

“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.