SCHEMBL3451540

SCHEMBL3451540

CN(C)c1ccncc1C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPBAR1 Q8TDU6 11/20 0.36
TACR1 P25103 2/20 0.36
CNR2 P34972 1/20 0.35
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34

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
Potassium Ion SCHEMBL17746100 0.79 TDP1 (0.41) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL2770960 0.79 SIRT3 (0.61) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL5014069 0.79 KDM4C (0.49) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL27713021 0.77 TDP1 (0.42) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL17746099 0.77 KDM4C (0.47) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL31146203 0.74 KDM4E (0.47) SIRT3TDP1MAPTALDH1A1GAA
SCHEMBL7393208 0.73 TDP1 (0.39) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL28499412 0.73 TDP1 (0.39) SIRT3TDP1MAPTALDH1A1TP53
SCHEMBL7899172 0.71 ERN1 (0.38) SIRT3TDP1MAPTALDH1A1GSK3B
SCHEMBL28590209 0.69 LATS1 (0.38) TDP1MAPTTSHRGPBAR1TACR1

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 11 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
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
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US 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
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US 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
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 SIRT3 1119/4885TDP1 2041/4885MAPT 449/4885

“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.