SCHEMBL3894403

SCHEMBL3894403

CC(C)(C)c1cc(C(=O)Nc2cccnn2)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
ALOX5 P09917 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
FFAR2 O15552 1/20 0.41
SYK P43405 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNFRSF1A P19438 1/20 0.40
MAOB P27338 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
LRRK2 Q5S007 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3894083 0.82 NPC1 (0.60) SIRT2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3894291 0.82 SIRT2 (0.51) SIRT2SMN1; SMN2FFAR2JAK2LRRK2
SCHEMBL7253163 0.79 RAB9A (0.44) SIRT2SMN1; SMN2LMNA
SCHEMBL9842148 0.77 ALDH1A1 (0.41) ALOX5PTGS1PTGS2SMN1; SMN2GAA
SCHEMBL3891472 0.76 GLA (0.50) SIRT2ALOX5PTGS1PTGS2SYK
SCHEMBL3893022 0.75 MEN1 (0.47) ALOX5PTGS1PTGS2SMN1; SMN2SYK
SCHEMBL1648465 0.75 KMT2A (0.62) SIRT2JAK2TYK2LRRK2
SCHEMBL30533392 0.75 KMT2A (0.62) SIRT2JAK2TYK2LRRK2
SCHEMBL3889851 0.74 SMN1; SMN2 (0.64) SIRT2SMN1; SMN2GAAALDH1A1TDP1
SCHEMBL3889837 0.74 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1LMNA

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 7 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

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 SIRT2 860/4885ALOX5 141/4885PTGS1 808/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO SIRT2 826/4885ALOX5 75/4885PTGS1 635/4885

“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.