SCHEMBL6450827

SCHEMBL6450827

CC(C)(C)c1ccc(O)c(-c2nc(-c3ccc(C(F)(F)F)cn3)n[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.34
CASP3 P42574 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TGFBR1 P36897 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 1/20 0.33
PTGES O14684 1/20 0.33
MCHR1 Q99705 1/20 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
SCHEMBL6451407 0.89 HPGD (0.48) NPSR1RAB9AMEN1NPC1KMT2A
SCHEMBL6452047 0.88 NPSR1 (0.41) NPSR1RAB9AMEN1NPC1NR2F2
SCHEMBL6451251 0.87 NPC1 (0.40) NPSR1RAB9AMEN1NPC1KMT2A
SCHEMBL6453795 0.86 GRK6 (0.42) NPSR1MEN1KMT2AADORA2AHPGD
SCHEMBL6451336 0.86 IDO1 (0.43) NPSR1MEN1KMT2AADORA2AHPGD
SCHEMBL6452660 0.86 GRK6 (0.45) NPSR1RAB9AMEN1NPC1KMT2A
SCHEMBL6450106 0.83 ADORA2A (0.53) NPSR1RAB9AMEN1NPC1NR2F2
SCHEMBL6454836 0.82 GRK6 (0.48) NPSR1RAB9AMEN1NPC1KMT2A
SCHEMBL6450815 0.81 SMN1; SMN2 (0.55) NPSR1RAB9AMEN1NPC1NR2F2
SCHEMBL15674333 0.81 ALDH1A1 (0.44) NPSR1RAB9AMEN1NPC1NR2F2

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 NPSR1 3086/4885RAB9A 2483/4885MEN1 3473/4885

“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.