SCHEMBL838447

SCHEMBL838447

Cc1c(Br)cccc1-n1ncc2c(O)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 3/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 6/20 0.39
MAPT P10636 5/20 0.38
SLC2A1 P11166 3/20 0.38
SLC2A2 P11168 3/20 0.38
SLC2A3 P11169 3/20 0.38
XDH P47989 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.36
GSK3B P49841 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIP4K2A P48426 2/20 0.36

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
SCHEMBL849766 0.86 MAPT (0.46) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL838405 0.84 TP53 (0.44) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL839927 0.84 SLC2A1 (0.44) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL838736 0.82 ALDH1A1 (0.40) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL839132 0.81 SLC2A1 (0.47) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL839998 0.76 TP53 (0.47) RAB9ANPC1KDM4EHTTTP53
SCHEMBL838719 0.76 MAPK14 (0.42) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL838812 0.76 P2RX7 (0.44) RAB9ANPC1KDM4EHSD17B10HTT
SCHEMBL878705 0.75 GCK (0.47) RAB9AKDM4EHSD17B10MAPTSLC2A1
SCHEMBL12000897 0.75 SLC2A1 (0.53) KDM4EHSD17B10TP53MAPTSLC2A1

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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 RAB9A 3239/4885NPC1 552/4885KDM4E 3541/4885

“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.