SCHEMBL6449089

SCHEMBL6449089

COc1ccc(OC)c(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.49
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 7/20 0.46
NPC1 O15118 6/20 0.46
HSD17B10 Q99714 6/20 0.46
TP53 P04637 4/20 0.46
PKM P14618 3/20 0.46
GAA P10253 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL7158427 0.87 CASP3 (0.49) CASP3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7188138 0.84 CASP3 (0.40) CASP3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL6452318 0.81 NPC1 (0.64) CASP3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7156609 0.81 CASP3 (0.47) CASP3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7188135 0.78 CASP3 (0.42) CASP3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL6451282 0.78 NPC1 (0.74) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6448883 0.77 CASP3 (0.48) CASP3MAPTPKMSTAT3GRM5
SCHEMBL1416898 0.76 CYP1A1 (0.47) MAPTSMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL23880009 0.75 MAPT (0.49) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL7153588 0.72 CASP3 (0.53) CASP3KDM4ENPC1KMT2AMEN1

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 CASP3 330/4885MAPT 2805/4885SMN1; 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.