SCHEMBL3893137

SCHEMBL3893137

Cc1cc(C(=O)Nc2nncs2)cc(C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
AQP4 P55087 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
MAPK14 Q16539 1/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 2/20 0.46
BCAT2 O15382 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3892748 0.82 RAB9A (0.58) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL8554147 0.77 LMNA (0.65) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL3900518 0.76 RAB9A (0.64) RAB9AALDH1A1HSD17B10HPGDLMNA
SCHEMBL9963857 0.75 KDM4E (0.61) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL2664674 0.74 RAB9A (0.59) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL3379803 0.74 AQP4 (0.70) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL564354 0.73
SCHEMBL20603903 0.73
SCHEMBL2664672 0.72 RAB9A (0.55) RAB9AAQP4KDM4EALDH1A1HSD17B10
SCHEMBL21625694 0.71 TOP1 (0.52) RAB9ALMNANPC1KMT2AMEN1

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

“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.