SCHEMBL6457450

SCHEMBL6457450

COc1ccc(O)c(-c2nc(-c3ccc(NC(C)=O)cn3)no2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
MAPT P10636 9/20 0.44
ALDH1A1 P00352 6/20 0.44
TSHR P16473 6/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.43
HAVCR2 Q8TDQ0 3/20 0.42
POLB P06746 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL6451515 0.93 NPC1 (0.46) NPC1SMN1; SMN2RAB9AADORA3MAPT
SCHEMBL6457310 0.88 MAPT (0.41) NPC1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL6453931 0.86 MAPT (0.43) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL6451286 0.85 MAPT (0.42) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL6451429 0.81 GRK6 (0.48) NPC1SMN1; SMN2RAB9AADORA3MAPT
SCHEMBL6454367 0.81 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL6454831 0.81 MAPT (0.42) NPC1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL6451778 0.80 TP53 (0.48) NPC1SMN1; SMN2RAB9AADORA3MAPT
SCHEMBL6454528 0.76 NPC1 (0.65) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL6454394 0.75 BCL2 (0.44)

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 NPC1 59/4885SMN1; SMN2 4633/4885RAB9A 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.