SCHEMBL6449658

SCHEMBL6449658

COc1ccc(O)c(-c2nc(-c3ncccc3C)nn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
GAA P10253 4/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
NPC1 O15118 1/20 0.42
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
IDO1 P14902 1/20 0.39
SPR P35270 1/20 0.37
TLR8 Q9NR97 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GCK P35557 1/20 0.35
GUSB P08236 1/20 0.35
PDE2A O00408 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL6451328 0.92 IDH1 (0.47) CYP19A1GAAMGAMSIMGAM2
SCHEMBL6454678 0.86 CYP19A1 (0.42) CYP19A1GAAMGAMSIMGAM2
SCHEMBL6453914 0.86 HSD17B2 (0.40) CYP19A1GAAMGAMSIMGAM2
SCHEMBL6449813 0.84 KDM4E (0.41) GAANPC1ALDH1A1KDM4EHPGD
SCHEMBL6456605 0.84 CASP6 (0.38) NPC1ALDH1A1IDO1SPR
SCHEMBL6454166 0.84 CYP19A1 (0.42) CYP19A1ALDH1A1IDO1SPRTLR8
SCHEMBL6450015 0.83 CYP19A1 (0.49) CYP19A1GAANPC1IDH1ALDH1A1
SCHEMBL6452679 0.82 MAPT (0.43) CYP19A1GAANPC1KDM4EHPGD
SCHEMBL6448670 0.79 MAPT (0.44) GAANPC1ALDH1A1KDM4EIDO1
SCHEMBL6449876 0.78 CYP3A4 (0.44) NPC1KDM4E

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 CYP19A1 523/4885GAA 519/4885MGAM 4379/4885

“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.