SCHEMBL6451494

SCHEMBL6451494

O=C(NNC(=O)c1ccccc1O)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
HTT P42858 7/20 0.58
TLR7 Q9NYK1 5/20 0.58
ALDH1A1 P00352 2/20 0.58
L1CAM P32004 1/20 0.57
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
OPRK1 P41145 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
CDK5 Q00535 1/20 0.52
PAX8 Q06710 1/20 0.52
CDK5R1 Q15078 1/20 0.52

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
SCHEMBL4542670 0.89 KDM4E (0.54) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL1147702 0.86 KDM4E (0.73) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL6450640 0.82 KDM4E (0.60) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL6449069 0.82 RAB9A (0.62) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL77381 0.82 CA1 (0.77) KDM4EHTTALDH1A1L1CAMCA1
SCHEMBL12894824 0.80 KDM4E (0.54) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL6449695 0.79 RAB9A (0.66) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL14810907 0.79 KDM4E (0.67) KDM4EHTTTLR7ALDH1A1NPC1
SCHEMBL30118935 0.79 KMT2A (0.58) KDM4EHTTALDH1A1CA1CA9
SCHEMBL8710005 0.79 KMT2A (0.58) KDM4EHTTALDH1A1CA1CA9

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 1540/4885TLR7 961/4885

“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.