SCHEMBL3452222

SCHEMBL3452222

CC(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.54
GRIA2 P42262 2/20 0.52
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
FLT3 P36888 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
ANO1 Q5XXA6 1/20 0.49
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1007087 0.83 GRM1 (0.58) GRM1GRIA2RAB9AALDH1A1HPGD
SCHEMBL4152901 0.78 GRM1 (0.81) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL13108879 0.77 GRM1 (0.68) GRM1GRIA2RAB9AALDH1A1HPGD
SCHEMBL1005578 0.76 GRM1 (0.66) GRM1GRIA2RAB9AALDH1A1HPGD
SCHEMBL3917266 0.75 ALDH1A1 (0.77) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL1889692 0.73 AIP (0.46) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL1006913 0.73 GRM1 (0.55) GRM1GRIA2RAB9AALDH1A1HPGD
SCHEMBL3451312 0.72 GRM1 (0.76) GRM1GRIA2
SCHEMBL3478613 0.72 GRM1 (0.84) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL1007802 0.72 GRM1 (0.54) GRM1GRIA2RAB9AALDH1A1MEN1

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 GRM1 25/4885GRIA2 31/4885RAB9A 2376/4885

“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.