SCHEMBL3453135

SCHEMBL3453135

CNC(=O)c1c(NC(=O)CBr)sc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 2/20 0.54
POLB P06746 2/20 0.54
ANO1 Q5XXA6 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL3452692 0.84 MEN1 (0.59) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL3453042 0.83 FLT3 (0.75) FLT3CYP1A2MAPTALDH1A1MEN1
SCHEMBL3452318 0.83 NPC1 (0.61) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL16770072 0.83 ALDH1A1 (0.65) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL5453482 0.78 MAPT (0.72) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL4094737 0.77 ATM (0.55) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL21597084 0.76 ATM (0.54) FLT3ATMCYP1A2CYP2C9MAPT
SCHEMBL3803667 0.76 CNR2 (0.68) FLT3ATMMAPTALDH1A1MEN1
SCHEMBL3799308 0.75 CNR2 (0.74) ATMCYP1A2CYP2C9MAPTALDH1A1
SCHEMBL21651827 0.73 MEN1 (0.73) FLT3MAPTALDH1A1MEN1KMT2A

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
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 FLT3 658/4885ATM 3026/4885CYP1A2 1467/4885

“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.