SCHEMBL4254016

SCHEMBL4254016

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MAPT P10636 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.71
LMNA P02545 3/20 0.68
POLB P06746 1/20 0.68
MAPK1 P28482 1/20 0.68
XBP1 P17861 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KCNQ3 O43525 1/20 0.61
KCNQ2 O43526 1/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61
PTGS1 P23219 3/20 0.60
TRPV1 Q8NER1 2/20 0.60
RORC P51449 1/20 0.59

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
SCHEMBL2494946 0.85 PPARG (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4249329 0.85 RAB9A (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7294922 0.84 NPC1 (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6078205 0.84 NPC1 (0.75) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6365067 0.84 MAPT (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2681347 0.83 NPC1 (0.80) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7513604 0.83 TRPV1 (0.83) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6557523 0.82 NPC1 (0.77) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28910371 0.82 TRPV1 (0.71) NPC1RAB9AKMT2AMAPK1KCNQ3
SCHEMBL8460312 0.82 NPC1 (0.78) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885MAPT 759/4885

“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.