SCHEMBL6449695

SCHEMBL6449695

COc1ccc(O)c(C(=O)NNC(=O)c2ccccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 4/20 0.66
PKM P14618 3/20 0.66
HPGD P15428 1/20 0.66
CDK5 Q00535 1/20 0.66
PAX8 Q06710 1/20 0.66
CDK5R1 Q15078 1/20 0.66
KDM4E B2RXH2 4/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 1/20 0.64
ALPL P05186 2/20 0.62
MAPT P10636 3/20 0.58
GRM4 Q14833 1/20 0.57
TLR7 Q9NYK1 2/20 0.56
BLM P54132 1/20 0.54
FADS1 O60427 1/20 0.51
AURKB Q96GD4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6451494 0.79 KDM4E (0.58) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL6448607 0.77 RAB9A (0.63) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL6451241 0.76 TMPRSS4 (0.51) RAB9ASMN1; SMN2NPC1HPGDKDM4E
SCHEMBL28957346 0.76 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL31006491 0.75 GRM4 (0.78) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL4563112 0.75 NPC1 (0.56) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL28871827 0.75 GRM4 (0.78) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL1147702 0.75 KDM4E (0.73) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL12720804 0.75 GAA (0.60) RAB9ASMN1; SMN2NPC1PKMKDM4E
SCHEMBL18114749 0.75 GAA (0.60) RAB9ASMN1; SMN2NPC1PKMKDM4E

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 1 patent. 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

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 RAB9A 2483/4885SMN1; SMN2 4633/4885NPC1 59/4885

“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.