SCHEMBL6449381

SCHEMBL6449381

COc1cccc(-c2nc(-c3ncccc3[N+](=O)[O-])no2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.58
RAB9A P51151 11/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
GRM5 P41594 2/20 0.58
PKM P14618 1/20 0.58
TP53 P04637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 6/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL27866903 0.86 DYRK1A (0.56) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL6452359 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL6452435 0.83 MAPT (0.45) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6454080 0.82 MAPT (0.52) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6449961 0.82 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL6454806 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL6448628 0.77 MAPK1 (0.47) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6449738 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL31451585 0.74 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL1738423 0.74 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMNFKB1

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 59/4885RAB9A 2483/4885SMN1; SMN2 4633/4885

“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.