SCHEMBL6450029

SCHEMBL6450029

COc1cccc(-c2nc(-c3ncccc3Br)n[nH]2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.41
GUSB P08236 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL6454710 0.89 PLG (0.43) DCUN1D1NR1H2NR1H3F2F10
SCHEMBL6448709 0.87 KDM4E (0.44) KDM4EPKMDCUN1D1GUSBHDAC6
SCHEMBL6454417 0.84 KDM4E (0.50) KDM4EPKMDCUN1D1GUSBHDAC6
SCHEMBL6448396 0.84 KDM4E (0.41) KDM4EPKMDCUN1D1GUSBHDAC6
SCHEMBL6449970 0.81 GUSB (0.47) KDM4EPKMDCUN1D1GUSBF2
SCHEMBL6453815 0.81 SMN1; SMN2 (0.50) KDM4EPKMALDH1A1GAANPC1
SCHEMBL6460680 0.80 NPC1 (0.56) KDM4EPKMDCUN1D1GUSBF2
SCHEMBL6450529 0.80 GRK6 (0.46) KDM4ENR1H2NR1H3ALDH1A1GAA
SCHEMBL6449760 0.79 ADORA2A (0.57) KDM4EPKMDCUN1D1NR1H2NR1H3
SCHEMBL6450070 0.79 GRK6 (0.47) KDM4EGUSBNR1H2NR1H3F2

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 KDM4E 3106/4885PKM 2206/4885DCUN1D1 3978/4885

“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.