SCHEMBL6450640

SCHEMBL6450640

Cc1ccccc1C(=O)NNC(=O)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
HTT P42858 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TLR7 Q9NYK1 4/20 0.60
CTNNB1 P35222 1/20 0.59
WNT3A P56704 1/20 0.59
GRM4 Q14833 1/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
CDK5 Q00535 1/20 0.55
PAX8 Q06710 1/20 0.55
CDK5R1 Q15078 1/20 0.55
POLB P06746 1/20 0.54
OPRK1 P41145 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL30451604 0.87 CTNNB1 (0.59) KDM4EL3MBTL1TLR7CTNNB1WNT3A
SCHEMBL1147702 0.84 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1TLR7
SCHEMBL2650229 0.82 POLB (0.72) KDM4EL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6451494 0.82 KDM4E (0.58) KDM4EHTTL3MBTL1ALDH1A1TLR7
SCHEMBL14810907 0.81 KDM4E (0.67) KDM4EHTTL3MBTL1ALDH1A1TLR7
SCHEMBL6449069 0.81 RAB9A (0.62) KDM4EHTTALDH1A1TLR7CTNNB1
SCHEMBL6448607 0.80 RAB9A (0.63) KDM4EHTTALDH1A1NPC1RAB9A
Azapicyl SCHEMBL24931095 0.80 KDM4E (0.68) KDM4EHTTL3MBTL1ALDH1A1TLR7
SCHEMBL13161971 0.80 CTNNB1 (0.66) KDM4EL3MBTL1ALDH1A1CTNNB1WNT3A
SCHEMBL28871823 0.79 NPC1 (0.64) KDM4EHTTL3MBTL1ALDH1A1TLR7

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 1 patent. 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

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 3106/4885HTT 1540/4885L3MBTL1 4366/4885

“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.