SCHEMBL6449944

SCHEMBL6449944

Cc1cccnc1-c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
TRPV1 Q8NER1 9/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP17A1 P05093 2/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NOTUM Q6P988 1/20 0.36
SYK P43405 1/20 0.36
PSMB8 P28062 1/20 0.36

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
SCHEMBL6449735 0.93 TDP2 (0.41) TDP2TRPV1CA12CA1CA9
SCHEMBL6449987 0.86 MAPT (0.46) TRPV1MAPTGAATDP1TP53
SCHEMBL6456813 0.83 TRPV1 (0.49) TRPV1MAPTGAA
SCHEMBL6450066 0.83 TDP2 (0.43) TDP2MAPTGAATDP1TP53
SCHEMBL30848642 0.80 TP53 (0.49) TDP2NAMPTMAPTCYP17A1TP53
SCHEMBL6448544 0.79 KDM5A (0.47) TRPV1MAPTGAATDP1TP53
SCHEMBL7153693 0.77 MAPT (0.41) TRPV1MAPTGAATDP1TP53
SCHEMBL7047826 0.77 NPC1 (0.50) MAPTGAATDP1TP53
SCHEMBL6448718 0.77 TRPV1 (0.47) TRPV1MAPT
SCHEMBL6450199 0.76 KDM4E (0.48) MAPTGAATDP1TP53

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 TDP2 4588/4885TRPV1 1359/4885CA12 2449/4885

“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.