SCHEMBL6450049

SCHEMBL6450049

Cc1cccc(-c2n[nH]c(-c3ccccc3Br)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.60
NR1H3 Q13133 4/20 0.60
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DCUN1D1 Q96GG9 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.42
ALPL P05186 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
TGFBR1 P36897 3/20 0.40
HPGD P15428 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
SCHEMBL6453486 0.83 ADORA2A (0.60) NR1H2NR1H3NPC1RAB9ATP53
SCHEMBL6461216 0.83 NPC1 (0.60) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL6451992 0.83 KDM4E (0.53) NR1H2NR1H3NPC1RAB9ATP53
SCHEMBL6452524 0.83 DCUN1D1 (0.50) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL13377809 0.81 CCR1 (0.54) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL6448976 0.79 SMN1; SMN2 (0.69) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL6451236 0.78 NR1H2 (0.59) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL10752750 0.78 CCR1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6456986 0.78 GRK6 (0.46) NPC1RAB9AALDH1A1TP53MEN1
SCHEMBL6449953 0.76 ALDH1A1 (0.61) NR1H2NR1H3NPC1RAB9AALDH1A1

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 24/4885NPC1 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.