SCHEMBL3895087

SCHEMBL3895087

Cc1cc(C(=O)Nc2nnnn2C)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
TTK P33981 1/20 0.34

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
SCHEMBL3893050 0.90 POLB (0.43) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL3895100 0.82 POLB (0.47) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL7258412 0.81 POLB (0.36) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL17080331 0.77 POLB (0.65) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL18761926 0.77 POLB (0.65) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL3896671 0.73 HPGDS (0.49) POLBLMNAKDM4EMAPTRAB9A
SCHEMBL18779295 0.72 POLB (0.59) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL31121869 0.71 POLB (0.51) POLBLMNAKDM4ETDP1MAPT
SCHEMBL12147147 0.71 RAB9A (0.57) POLBLMNAKDM4ETDP1HIF1A
SCHEMBL3892152 0.71 HPGDS (0.49) POLBRAB9ANPC1CYP1A2CYP2C19

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-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-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 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 POLB 2219/4885LMNA 2803/4885KDM4E 3297/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO POLB 2348/4885LMNA 2893/4885KDM4E 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.