SCHEMBL3892748

SCHEMBL3892748

CC(C)(C)c1cc(C(=O)Nc2nncs2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 1/20 0.50
AQP4 P55087 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL3893137 0.82 RAB9A (0.60) RAB9AKDM4EAQP4SMN1; SMN2NPC1
SCHEMBL3891438 0.80 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL3893217 0.73 GAA (0.42) SMN1; SMN2KMT2ALMNAALDH1A1GAA
SCHEMBL9963857 0.73 KDM4E (0.61) RAB9AKDM4EAQP4SMN1; SMN2NPC1
SCHEMBL3891666 0.72 ALOX5 (0.60) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL12324390 0.72 GAA (0.53) SMN1; SMN2KMT2ALMNAALDH1A1GAA
SCHEMBL3894403 0.72 SIRT2 (0.48) SMN1; SMN2LMNAALDH1A1GAATDP1
SCHEMBL2664674 0.72 RAB9A (0.59) RAB9AKDM4EAQP4SMN1; SMN2NPC1
SCHEMBL3379803 0.72 AQP4 (0.70) RAB9AKDM4EAQP4SMN1; SMN2NPC1
SCHEMBL3891472 0.72 GLA (0.50) RAB9AKDM4ENPC1KMT2ALMNA

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-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-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 RAB9A 764/4885KDM4E 3297/4885AQP4 4062/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO RAB9A 1174/4885KDM4E 2974/4885AQP4 4045/4885

“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.