SCHEMBL6451328

SCHEMBL6451328

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.41
CYP19A1 P11511 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6449658 0.92 CYP19A1 (0.46) IDH1MGAMGAASIMGAM2
SCHEMBL6449876 0.86 CYP3A4 (0.44) KDM4ENPC1MAPTKMT2AMEN1
SCHEMBL6452679 0.83 MAPT (0.43) GAAKDM4EHPGDNPC1CYP19A1
SCHEMBL6453933 0.82 IDH1 (0.51) IDH1GAAKDM4EALDH1A1NPC1
SCHEMBL6453914 0.82 HSD17B2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6452417 0.79 KDM4E (0.39) GAAKDM4EALDH1A1HPGDNPC1
SCHEMBL6454678 0.78 CYP19A1 (0.42) IDH1MGAMGAASIMGAM2
SCHEMBL6454139 0.78 NPC1 (0.47) IDH1MGAMGAASIMGAM2
SCHEMBL6449813 0.78 KDM4E (0.41) GAAKDM4EALDH1A1HPGDNPC1
SCHEMBL6454166 0.78 CYP19A1 (0.42) ALDH1A1CYP19A1HTTIDO1

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 IDH1 89/4885MGAM 4379/4885GAA 519/4885

“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.