SCHEMBL3452732

SCHEMBL3452732

CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 2/20 0.73
LMNA P02545 2/20 0.73
GRM1 Q13255 3/20 0.60
MAPT P10636 8/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL3453384 0.90 LMNA (0.64) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL4152901 0.84 GRM1 (0.81) ALDH1A1HPGDLMNAGRM1MAPT
SCHEMBL12666730 0.83 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL13108851 0.80 GRM1 (0.67) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL1006092 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL4132111 0.79 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL1009791 0.79 AIP (0.52) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL3478613 0.79 GRM1 (0.84) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL8226585 0.79 GRM1 (0.68) SMN1; SMN2ALDH1A1HPGDLMNAGRM1
SCHEMBL1898267 0.77 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2

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 9 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

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 SMN1; SMN2 1870/4885ALDH1A1 453/4885HPGD 329/4885

“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.