SCHEMBL6448429

SCHEMBL6448429

COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.43
GRM5 P41594 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL6530306 0.87 SYK (0.47) ALDH1A1TSHRLMNAHTTKDM4E
SCHEMBL6451938 0.83 MAPK1 (0.45) ALDH1A1TSHRLMNAHTTKDM4E
SCHEMBL6454384 0.82 CCR5 (0.46) ALDH1A1TSHRLMNAHTTKDM4E
SCHEMBL7049088 0.81 GRM5 (0.45) ALDH1A1KDM4EGRM5HPGDMAPT
SCHEMBL6448665 0.78 PDCD1 (0.51) ALDH1A1TSHRLMNAKDM4EGRM5
SCHEMBL3926024 0.78 SYK (0.45) ALDH1A1LMNAKDM4EGRM5HPGD
SCHEMBL6448695 0.75 MAPT (0.50) ALDH1A1KDM4EGRM5HPGDMEN1
SCHEMBL6449915 0.74 NPC1 (0.43) ALDH1A1TSHRLMNAHTTKDM4E
SCHEMBL6454448 0.74 TLR9 (0.45) SYKNPC1RAB9AKIT
SCHEMBL25409559 0.73 PKM (0.46) ALDH1A1TSHRLMNAHTTKDM4E

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC ALDH1A1 287/4885TSHR 4398/4885LMNA 2406/4885

“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.