SCHEMBL3900518

SCHEMBL3900518

Cc1cc(C(=O)Nc2nccs2)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.64
NPC1 O15118 12/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MAPT P10636 3/20 0.60
BRD4 O60885 1/20 0.60
PPARG P37231 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
ADORA2A P29274 3/20 0.57
ADORA1 P30542 2/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
ESR2 Q92731 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AGER Q15109 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL4299674 0.87 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL14018616 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL3892750 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTPPARG
SCHEMBL1119373 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTPPARG
SCHEMBL3891438 0.82 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL4297483 0.81 ADORA2A (0.62) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL3190864 0.80 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTPPARG
SCHEMBL4292558 0.79 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTPPARG
SCHEMBL12124359 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL3223685 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 RAB9A 764/4885NPC1 1408/4885SMN1; SMN2 1476/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO RAB9A 1174/4885NPC1 1513/4885SMN1; 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.