SCHEMBL6709967

SCHEMBL6709967

N#Cc1ccc(NC(=O)c2noc3ccc(-c4ccccc4C(F)(F)F)cc23)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.35
ROCK1 Q13464 1/20 0.35
PDE10A Q9Y233 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
F10 P00742 4/20 0.33
HIF1A Q16665 2/20 0.33

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
SCHEMBL6707809 0.94 EPHX2 (0.40) CETPSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6708875 0.90 DHODH (0.37) SMN1; SMN2ROCK1F10HIF1ATP53
SCHEMBL6707727 0.88 GRIK1 (0.37) SMN1; SMN2NPC1RAB9AKMT2ATSHR
SCHEMBL6711801 0.88 HIF1A (0.43) CETPSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6713809 0.88 HIF1A (0.43) ROCK1HIF1A
SCHEMBL6710378 0.87 SMN1; SMN2 (0.35) CETPSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6714271 0.84 HIF1A (0.48) ROCK1HIF1A
SCHEMBL6834124 0.84 XDH (0.40) CETPSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6713525 0.82 ROCK1 (0.36) CETPROCK1TRPV1
SCHEMBL6711761 0.82 HIF1A (0.34) ROCK1MAPTHIF1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CETP 4517/4885SMN1; SMN2 2635/4885NPC1 3891/4885

“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.