SCHEMBL3453379

SCHEMBL3453379

NC(=O)c1ccsc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
TP53 P04637 5/20 0.62
LMNA P02545 4/20 0.61
GRM1 Q13255 1/20 0.60
THRB P10828 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 2/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL1891359 0.85 POLB (0.62) MAPTTP53LMNAGRM1THRB
SCHEMBL1007695 0.84 TP53 (0.80) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1007681 0.80 TP53 (0.64) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1059044 0.80 POLB (0.63) MAPTTP53LMNAGRM1THRB
SCHEMBL4152901 0.80 GRM1 (0.81) MAPTTP53LMNAGRM1THRB
SCHEMBL1007851 0.80 MAPT (0.70) MAPTTP53LMNATHRBGAA
SCHEMBL1007102 0.80 MAPT (0.69) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1008738 0.78 MAPT (0.59) MAPTTP53LMNATHRBCYP1A2
SCHEMBL3453384 0.78 LMNA (0.64) MAPTTP53LMNAGRM1THRB
SCHEMBL1008552 0.77 MAPT (0.80) MAPTTP53LMNATHRBCYP1A2

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 8 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
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
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 MAPT 449/4885TP53 2469/4885LMNA 4311/4885

“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.