SCHEMBL6450036

SCHEMBL6450036

Cn1nc(-c2ccccn2)nc1-c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 2/20 0.48
MAPT P10636 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PAX8 Q06710 1/20 0.47
THRB P10828 2/20 0.46
KDM4E B2RXH2 7/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
LMNA P02545 2/20 0.45
APAF1 O14727 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6448670 0.84 MAPT (0.44) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL6457282 0.83 NPC1 (0.48) F12MAPTTDP1KMT2ANPC1
SCHEMBL6453666 0.81 KDM4E (0.46) F12MAPTTDP1KMT2AMEN1
SCHEMBL6460751 0.81 MAPK1 (0.46) F12MAPTKMT2ANPC1RAB9A
SCHEMBL6459175 0.80 KDM4A (0.52) F12MAPTTDP1KMT2AMEN1
SCHEMBL6449688 0.80 MEN1 (0.47) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL4599223 0.80 MAPT (0.54) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL6450015 0.79 CYP19A1 (0.49) F12MAPTTDP1KMT2ANPC1
SCHEMBL6451114 0.76 NPC1 (0.66) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL6452828 0.76 NPC1 (0.52) F12MAPTTDP1KMT2AMEN1

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 F12 2681/4885MAPT 2805/4885TDP1 4550/4885

“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.