SCHEMBL6452275

SCHEMBL6452275

Cc1cccc(-c2n[nH]c(-c3cc(C(C)(C)C)ccc3O)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
NR2F2 P24468 1/20 0.39
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
TGFBR1 P36897 2/20 0.35
MAPK14 Q16539 1/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
GRK6 P43250 1/20 0.34
PKM P14618 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL6448841 0.85 GRK6 (0.47) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL6450815 0.83 SMN1; SMN2 (0.55) MEN1NPC1RAB9AKMT2ANR2F2
SCHEMBL6460763 0.83 TGFBR1 (0.41) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL6452540 0.83 IDO1 (0.44) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL6456986 0.83 GRK6 (0.46) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL6450102 0.81 GAA (0.50) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6453486 0.81 ADORA2A (0.60) NPC1RAB9AKMT2AADORA2AALOX15
SCHEMBL6450502 0.80 ADORA2A (0.43) MEN1NPC1RAB9AKMT2ANR2F2
SCHEMBL6454593 0.78 GRK6 (0.51) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6449765 0.78 ADORA2A (0.38) MEN1NPC1RAB9AKMT2ANR2F2

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 MEN1 3473/4885NPC1 59/4885RAB9A 2483/4885

“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.