SCHEMBL3933856

SCHEMBL3933856

Oc1cc(Nc2cccnc2)cc(-c2cccc3c2OCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
PIK3CA P42336 1/20 0.38
PKM P14618 1/20 0.38
RIPK3 Q9Y572 1/20 0.37
DHODH Q02127 1/20 0.37
KIF11 P52732 1/20 0.36
CYP1A2 P05177 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
SCHEMBL3937398 0.81 LRRK2 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3925222 0.81 TP53 (0.52) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL3937644 0.75 NPC1 (0.49) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL3938396 0.74 L3MBTL1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL3927660 0.74 L3MBTL1 (0.39) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL3925398 0.74 L3MBTL1 (0.44) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL3929221 0.74 HPGDS (0.52) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL3926887 0.73 NPC1 (0.49) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL4778406 0.72 KDM4E (0.41) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL3925498 0.72 KIF11 (0.48) NPC1RAB9AKDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NPC1 2440/4885RAB9A 2506/4885TP53 7/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NPC1 2367/4885RAB9A 2544/4885TP53 7/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 NPC1 1074/4885RAB9A 2858/4885TP53 60/4885

“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.