SCHEMBL1777858

SCHEMBL1777858

[CH2]Nc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.45
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SOS1 Q07889 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL1487927 0.78 TNIK (0.41) KDM4EHSD17B10
SCHEMBL2093505 0.78 RAPGEF4 (0.50) RAPGEF4RAB9ANPC1MEN1KMT2A
SCHEMBL2092864 0.78 RAPGEF4 (0.41) RAPGEF4RAB9ANPC1SOS1TSHR
SCHEMBL2119807 0.78 SOS1 (0.61) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL9844844 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL12981083 0.74 RAB9A (0.47) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL1143594 0.74 SOS1 (0.47) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL19334300 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL31099069 0.74 RAPGEF4 (0.50) RAPGEF4RAB9ANPC1SOS1HPGD
SCHEMBL28120099 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US claimed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US claimed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP claimed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO claimed
US-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US disclosed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO disclosed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP disclosed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 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 (2 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-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 RAPGEF4 4505/4885RAB9A 3320/4885NPC1 171/4885
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses COASY, FURIN, PEPD RAPGEF4 3259/4885RAB9A 782/4885NPC1 1029/4885

“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.