SCHEMBL4713792

SCHEMBL4713792

CC(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1CC[C@H](N)CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
NPC1 O15118 1/20 0.56
OGG1 O15527 4/20 0.55
BRD4 O60885 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
TSHR P16473 1/20 0.50
CHEK1 O14757 1/20 0.47
FLT3 P36888 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SMYD3 Q9H7B4 1/20 0.42
SYK P43405 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4713789 1.00 RAB9A (0.67) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL4711742 0.85 OGG1 (0.53) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL4711743 0.85 OGG1 (0.53) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL14590655 0.80 NOTUM (0.61) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL4714429 0.79 TSHR (0.52) RAB9ANPC1BRD4ATAD2TSHR
SCHEMBL4714432 0.79 TSHR (0.52) RAB9ANPC1BRD4ATAD2TSHR
SCHEMBL4710582 0.74 ALDH1A1 (0.53) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL4710583 0.74 ALDH1A1 (0.53) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL24359205 0.73 KDM4E (0.58) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL20733336 0.72 RAB9A (0.69) RAB9ANPC1OGG1BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 RAB9A 1123/4885NPC1 14/4885OGG1 2877/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 RAB9A 1356/4885NPC1 27/4885OGG1 3119/4885

“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.