SCHEMBL6000352

SCHEMBL6000352

CCC(CC)CN(Cc1ccc(-c2csc(CC(NCC(=O)O)(C(N)=O)c3ccccc3)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.36
GIPR P48546 10/20 0.36
AKT1 P31749 4/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MRE11 P49959 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL6001117 0.87 PTPN2 (0.41) GCGRGIPRMEN1NPC1RAB9A
SCHEMBL6000660 0.84 PTPN1 (0.39) GCGRGIPRMEN1NPC1RAB9A
SCHEMBL6000363 0.81 CNR2 (0.35) GCGRGIPRMEN1NPC1RAB9A
SCHEMBL6000371 0.78 MEN1 (0.36) GCGRGIPRAKT1MEN1NPC1
SCHEMBL6000379 0.78 PTPN2 (0.40) AKT1MEN1NPC1RAB9AKMT2A
SCHEMBL6000357 0.77 PTPN2 (0.36) GCGRGIPRMEN1NPC1RAB9A
SCHEMBL5999015 0.76 PTPN2 (0.41) AKT1MEN1NPC1RAB9AKMT2A
SCHEMBL6000427 0.73 PTPN2 (0.39) GCGRGIPRAKT1MEN1NPC1
SCHEMBL5999150 0.73 ALOX5 (0.41) NPC1RAB9ASMN1; SMN2PTPN2PTPN1
SCHEMBL6001156 0.72 PTPN2 (0.48) GCGRGIPRMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (1 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 GCGR 194/4885GIPR 138/4885AKT1 425/4885

“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.