SCHEMBL6454593

SCHEMBL6454593

Cc1cccc(-c2n[nH]c(-c3cc([N+](=O)[O-])ccc3O)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.51
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPT P10636 9/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40

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
SCHEMBL6454557 0.85 GRK6 (0.53) GRK6KMT2AMEN1TDP1MAPT
SCHEMBL6452828 0.83 NPC1 (0.52) GRK6KMT2AMEN1KDM4EALOX12
SCHEMBL6448841 0.82 GRK6 (0.47) GRK6KMT2AMEN1KDM4ETDP1
SCHEMBL6451531 0.81 MAPT (0.60) GRK6KMT2AMEN1TDP1NPC1
SCHEMBL6460763 0.80 TGFBR1 (0.41) KMT2AMEN1ALOX12F2F10
SCHEMBL6456986 0.80 GRK6 (0.46) GRK6KMT2AMEN1KDM4EF2
SCHEMBL6452540 0.80 IDO1 (0.44) KMT2AMEN1KDM4EALOX12NPC1
SCHEMBL6454074 0.80 GRK6 (0.56) GRK6KMT2AMEN1KDM4EALOX12
SCHEMBL6451170 0.78 GRK6 (0.49) GRK6KMT2AMEN1KDM4EALOX12
SCHEMBL6452275 0.78 MEN1 (0.39) GRK6KMT2AMEN1TDP1NPC1

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 GRK6 2654/4885KMT2A 3600/4885MEN1 3473/4885

“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.