SCHEMBL3901088

SCHEMBL3901088

Cc1cc(C(=O)Nc2ccccn2)cc(C)c1O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.66
RAB9A P51151 13/20 0.66
SMN1; SMN2 Q16637 6/20 0.62
TP53 P04637 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
F2 P00734 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PKM P14618 3/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GRM5 P41594 1/20 0.51

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
SCHEMBL20558362 0.87 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL14546718 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL20558332 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL3894083 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL14985581 0.81 MEN1 (0.67) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL3895629 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL3893324 0.81 GLA (0.54) NPC1RAB9ATP53NPSR1MEN1
SCHEMBL3894291 0.81 SIRT2 (0.51) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL22902863 0.80 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL3689257 0.80 RAB9A (0.83) NPC1RAB9ASMN1; SMN2TP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US claimed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US claimed
US-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses OH EU-GENE 2006-06-01 US claimed
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US disclosed
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US disclosed
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US disclosed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US disclosed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US disclosed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US disclosed
US-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses OH EU-GENE 2006-06-01 US disclosed
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-10-28 US disclosed
WO-2003010143-A1 DIALKYLHYDROXYBENZOIC ACID DERIVATIVES CONTAINING METAL CHELATING GROUPS AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO., LTD. (KR) 2003-02-06 WO 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 (2 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-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO NPC1 1408/4885RAB9A 764/4885SMN1; SMN2 1476/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO NPC1 1513/4885RAB9A 1174/4885SMN1; SMN2 1231/4885

“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.