SCHEMBL6452058

SCHEMBL6452058

Cc1cccc(-c2n[nH]c(-c3ccc(-c4ccccc4)c(F)c3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.46
NR1H3 Q13133 5/20 0.46
TGFBR1 P36897 4/20 0.46
DGAT1 O75907 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATAD2 Q6PL18 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGDS O60760 1/20 0.40
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AKT1 P31749 3/20 0.39
AKT2 P31751 3/20 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
SCHEMBL6457945 0.83 RAB9A (0.57) NR1H2NR1H3TGFBR1DGAT1NPC1
SCHEMBL6452524 0.78 DCUN1D1 (0.50) NR1H2NR1H3TGFBR1NPC1RAB9A
SCHEMBL6449953 0.77 ALDH1A1 (0.61) NR1H2NR1H3DGAT1NPC1RAB9A
SCHEMBL6448692 0.77 NR1H2 (0.44) NR1H2NR1H3DGAT1NPC1RAB9A
SCHEMBL6451236 0.77 NR1H2 (0.59) NR1H2NR1H3TGFBR1DGAT1NPC1
SCHEMBL6449633 0.75 CCR1 (0.44) NR1H2NR1H3TGFBR1NPC1RAB9A
SCHEMBL6451523 0.75 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL6450407 0.75 FEN1 (0.43) NR1H2NR1H3DGAT1NPC1RAB9A
SCHEMBL13377809 0.74 CCR1 (0.54) NR1H2NR1H3TGFBR1NPC1RAB9A
SCHEMBL7049722 0.74 TGFBR1 (0.53) NR1H2NR1H3TGFBR1DGAT1NPC1

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 NR1H2 34/4885NR1H3 24/4885TGFBR1 4864/4885

“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.