SCHEMBL3451759

SCHEMBL3451759

CC(C)(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
TSHR P16473 4/20 0.66
GAA P10253 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 6/20 0.56
POLQ O75417 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL14487346 0.85 LMNA (0.67) LMNATSHRGAANPSR1TDP1
SCHEMBL25097671 0.84 LMNA (0.46) LMNATSHRGAANPSR1TDP1
SCHEMBL12379943 0.82 LMNA (0.76) LMNATSHRGAANPSR1TDP1
SCHEMBL14555832 0.82 LMNA (0.64) LMNATSHRGAANPSR1TDP1
SCHEMBL25097669 0.82 LMNA (0.43) LMNATSHRGAANPSR1TDP1
SCHEMBL14487419 0.81 LMNA (0.47) LMNATSHRGAANPSR1TDP1
SCHEMBL1008435 0.81 LMNA (1.00) LMNATSHRGAANPSR1TDP1
SCHEMBL15708803 0.80 LMNA (1.00) LMNATSHRGAANPSR1TDP1
SCHEMBL20371480 0.80 LMNA (1.00) LMNATSHRGAANPSR1TDP1
SCHEMBL20866257 0.80 STAT3 (0.42) LMNATSHRGAANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 EP disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
EP-2041124-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. Organon (NL) 2009-04-01 EP disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 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 (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-20080255086-A1 Heterocyclic Derivatives GRIN2C, GRIN3A, GRIN1 LMNA 4311/4885TSHR 535/4885GAA 1615/4885

“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.