SCHEMBL3453384

SCHEMBL3453384

Cc1sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C(N)=O)c1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
GRM1 Q13255 3/20 0.63
MAPT P10636 7/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.56
THRB P10828 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL3452732 0.90 SMN1; SMN2 (0.73) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL12666730 0.89 ALDH1A1 (0.69) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL1006092 0.89 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL1009791 0.88 AIP (0.52) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL4152901 0.86 GRM1 (0.81) LMNAALDH1A1HPGDGRM1MAPT
SCHEMBL1008434 0.84 LMNA (0.46) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL13108851 0.82 GRM1 (0.67) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL1889692 0.82 AIP (0.46) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL4132111 0.81 ALDH1A1 (0.74) LMNAALDH1A1SMN1; SMN2HPGDGRM1
SCHEMBL8226585 0.81 GRM1 (0.68) LMNAALDH1A1SMN1; SMN2HPGDGRM1

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 10 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
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 LMNA 4311/4885ALDH1A1 453/4885SMN1; SMN2 1870/4885

“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.