SCHEMBL4255341

SCHEMBL4255341

O=C(Nc1cccc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.81
RAB9A P51151 4/20 0.81
SMN1; SMN2 Q16637 2/20 0.73
KCNK3 O14649 3/20 0.71
KCNK9 Q9NPC2 2/20 0.71
ADORA3 P0DMS8 1/20 0.70
ADORA2A P29274 1/20 0.70
ADORA2B P29275 1/20 0.70
ADORA1 P30542 1/20 0.70
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.64
P2RX1 P51575 1/20 0.64
P2RX4 Q99571 1/20 0.64
P2RX7 Q99572 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.62

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
SCHEMBL29768474 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL28579555 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL3794687 0.89 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL30462972 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL13972812 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL4250050 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
Iodide SCHEMBL30758613 0.88 NPC1 (0.97) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL3675463 0.87 KCNK3 (0.84) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL15045216 0.87 NPC1 (0.82) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL4698582 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2KCNK3KCNK9

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 8 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
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
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
EP-0773249-B1 Polyphenylene co-polymers MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
US-5886130-A THE CO-POLYMERS ARE USEFUL AS MOLDING RESINS, AND COMPOSITE MATRIX RESINS, AND WHERE AR IS HETEROARYLENE AS ION EXCHANGE RESINS. MAXDEM INCORPORATED (US) 1999-03-23 US disclosed
EP-0773249-A1 Polyphenylene co-polymers MAXDEM INCORPORATED (US) 1997-05-14 EP disclosed
US-4499167-A Photoconductive compositions comprising an organic photoconductor and an amide compound and electro-photographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-12 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 733/4885SMN1; SMN2 155/4885

“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.