SCHEMBL6454549

SCHEMBL6454549

Cc1ccc(O)c(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.63
SMN1; SMN2 Q16637 10/20 0.63
PKM P14618 9/20 0.63
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
GAA P10253 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MITF O75030 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GRM5 P41594 7/20 0.62
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 2/20 0.51
KLF5 Q13887 2/20 0.51

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
SCHEMBL6454119 0.86 SMN1; SMN2 (0.58) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6449030 0.84 GRM5 (0.64) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6454607 0.84 GRM5 (0.62) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL4194624 0.84 GRM5 (0.72) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL14395187 0.84 PKM (0.63) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6454528 0.84 NPC1 (0.65) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL4198081 0.83 SMN1; SMN2 (0.68) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6453543 0.81 NPC1 (0.46) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL27951884 0.80 CYP19A1 (0.56) TP53SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6449960 0.80 GRM5 (0.39) TP53SMN1; SMN2PKMNPC1RAB9A

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 TP53 107/4885SMN1; SMN2 4633/4885PKM 2206/4885

“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.