SCHEMBL6000599

SCHEMBL6000599

CCCC(CCC)c1ccc2c(c1)nc(-c1csc(COc3ccc(C(=O)O)cc3)n1)n2Cc1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPT P10636 4/20 0.37
PDE10A Q9Y233 1/20 0.36
PPARG P37231 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
PTGS2 P35354 1/20 0.34
BCHE P06276 3/20 0.34
HSP90AA1 P07900 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALOX5 P09917 1/20 0.33
VDR P11473 2/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL5999795 0.87 RXRA (0.43) PTPN2PTPN1MAPTNPC1RAB9A
SCHEMBL6001137 0.81 MAPT (0.40) MAPTPPARGNPC1RAB9APPARD
SCHEMBL6000497 0.81 RXRA (0.45) MAPTPPARGNPC1RAB9APPARD
SCHEMBL6000191 0.77 PTGER4 (0.43) NR1H4ALOX5VDR
SCHEMBL6000446 0.75 VDR (0.40) MAPTPPARGNPC1RAB9APPARD
SCHEMBL6000770 0.73 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6000946 0.72 PTPN2 (0.61) PTPN2PTPN1NPC1RAB9AKDM4E
SCHEMBL6000642 0.72 PTPN2 (0.61) PTPN2PTPN1NPC1RAB9AKDM4E
SCHEMBL6000496 0.72 PTPN2 (0.43) PTPN2PTPN1MAPTMEN1KMT2A
SCHEMBL6000216 0.67 PTPN2 (0.55) PTPN2PTPN1MAPTNPC1RAB9A

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 PTPN2 11/4885PTPN1 2/4885MAPT 4785/4885

“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.