SCHEMBL6448409

SCHEMBL6448409

O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2O)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
ACHE P22303 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
EGFR P00533 1/20 0.54
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 4/20 0.49
F2 P00734 1/20 0.49
C1R P00736 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11816575 0.82 L3MBTL1 (0.62) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL6448634 0.81 L3MBTL1 (0.66) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL9737555 0.81 NPC1 (0.64) ACHERAB9ANPC1CASP3SENP7
SCHEMBL6451551 0.80 L3MBTL1 (0.53) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL5707256 0.79 ALDH1A1 (0.59) RAB9ANPC1CASP3ALDH1A1KMT2A
SCHEMBL10549982 0.79 L3MBTL1 (0.68) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL4403617 0.79 L3MBTL1 (1.00) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL1208111 0.79 L3MBTL1 (0.68) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL13885117 0.79 L3MBTL1 (0.56) L3MBTL1ACHERAB9ANPC1CASP3
SCHEMBL6451539 0.78 NPC1 (0.65) L3MBTL1ACHERAB9ANPC1CASP3

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 L3MBTL1 4366/4885ACHE 2052/4885RAB9A 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.