SCHEMBL3781345

SCHEMBL3781345

c1cc(Oc2ccc(-c3nnc[nH]3)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK14 Q16539 4/20 0.38
GCGR P47871 3/20 0.38
NPC1 O15118 2/20 0.33
SCN4A P35499 2/20 0.33
RAB9A P51151 2/20 0.33
TGFBR1 P36897 1/20 0.33
HPSE Q9Y251 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
RAF1 P04049 1/20 0.32
MMP1 P03956 1/20 0.32
SCN9A Q15858 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7015796 0.84 LTA4H (0.51) LTA4HMAPK13MAPK12MAPK11MAPK14
SCHEMBL30312207 0.83 KMT2A (0.44) LTA4HNPC1RAB9ANISCHCYP2D6
SCHEMBL27876872 0.77 KDM4E (0.48) NPC1SCN4ARAB9AKDM4E
SCHEMBL30312010 0.75 KDM4E (0.47) NPC1SCN4ARAB9AKDM4EUSP2
SCHEMBL30311895 0.72 ALDH1A1 (0.51) NPC1RAB9AKDM4ECYP3A4CYP2D6
SCHEMBL30311988 0.72 SCN5A (0.44) NPC1RAB9ASCN9ANISCH
SCHEMBL30311926 0.71 SCN5A (0.47) SCN9ANISCH
SCHEMBL12127665 0.70 LTA4H (0.38) LTA4HSCN9ACYP2D6HAO1
SCHEMBL30311943 0.70 CYP2D6 (0.60) NPC1RAB9AKDM4ECYP3A4CYP2D6
SCHEMBL21379767 0.70 MAPT (0.61) LTA4HMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 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 (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-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS LTA4H 1864/4885MAPK13 3698/4885MAPK12 3476/4885

“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.