SCHEMBL4255579

SCHEMBL4255579

O=C(Nc1cccc(Cl)c1)c1cnc(NCc2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDR P35968 4/20 0.55
P4HTM Q9NXG6 1/20 0.55
VNN1 O95497 1/20 0.54
FLT1 P17948 1/20 0.53
NAMPT P43490 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
GRM4 Q14833 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8078603 0.87 VNN1 (0.48) NPC1RAB9AKDRP4HTMVNN1
SCHEMBL4251689 0.85 P4HTM (0.55) NPC1RAB9AKDRP4HTMHDAC6
SCHEMBL3646298 0.83 P4HTM (0.62) NPC1RAB9AKDRP4HTMVNN1
SCHEMBL4247747 0.83 P4HTM (0.53) NPC1RAB9AKDRP4HTMHDAC6
SCHEMBL4253528 0.81 P4HTM (0.51) NPC1RAB9AKDRP4HTMNAMPT
SCHEMBL3646879 0.81 EPHX1 (0.53) NPC1RAB9AP4HTMSMN1; SMN2MAPT
SCHEMBL3642334 0.81 P4HTM (0.58) NPC1RAB9AKDRP4HTMKCNK3
SCHEMBL3643499 0.81 P4HTM (0.50) NPC1RAB9AKDRP4HTMHDAC6
SCHEMBL4247552 0.78 P4HTM (0.55) NPC1RAB9AKDRP4HTMKCNK3
SCHEMBL3639325 0.78 P4HTM (0.64) NPC1RAB9AP4HTMKCNK3KCNK9

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 3 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
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 733/4885KDR 3760/4885

“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.