SCHEMBL6453486

SCHEMBL6453486

Cc1cccc(-c2n[nH]c(-c3ccccc3O)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60
DCUN1D1 Q96GG9 2/20 0.50
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
NPC1 O15118 2/20 0.42
ALPL P05186 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
USP2 O75604 1/20 0.40

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
SCHEMBL6452540 0.85 IDO1 (0.44) ADORA2AHPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL6448841 0.85 GRK6 (0.47) ADORA2AHPGDHSD17B10KDM4EGAA
SCHEMBL6452524 0.83 DCUN1D1 (0.50) ADORA2ADCUN1D1HPGDHSD17B10MGAM
SCHEMBL6461216 0.83 NPC1 (0.60) ADORA2ADCUN1D1HPGDHSD17B10KDM4E
SCHEMBL6450049 0.83 NR1H2 (0.60) ADORA2ADCUN1D1HPGDHSD17B10KDM4E
SCHEMBL6451992 0.83 KDM4E (0.53) ADORA2ADCUN1D1HPGDHSD17B10KDM4E
SCHEMBL6460763 0.83 TGFBR1 (0.41) ADORA2AHPGDRAB9ASMN1; SMN2ALOX15
SCHEMBL6456986 0.83 GRK6 (0.46) ADORA2AHPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL6449669 0.82 MGAM (0.49) ADORA2AKDM4EMGAMGAASI
SCHEMBL13377809 0.81 CCR1 (0.54) HSD17B10KDM4ERAB9ASMN1; SMN2ALOX15

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 ADORA2A 1442/4885DCUN1D1 3978/4885HPGD 258/4885

“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.