SCHEMBL12669809

SCHEMBL12669809

CC(C)Nc1nc(C(=O)NC(C)(C)C)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FDPS P14324 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM1A O60341 3/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL18233030 0.83 L3MBTL1 (0.42) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13594840 0.81 L3MBTL1 (0.41) TYRL3MBTL1FDPSCA12CA1
SCHEMBL2744060 0.79 L3MBTL1 (0.62) TYRL3MBTL1FDPSCA12CA1
SCHEMBL14374180 0.79 KDM1A (0.54) TYRL3MBTL1FDPSCA12CA1
SCHEMBL12676691 0.79 GAA (0.43) TYRL3MBTL1FDPSHDAC3HDAC4
Bromide SCHEMBL2241396 0.78 L3MBTL1 (0.60) TYRL3MBTL1FDPSCA12CA1
SCHEMBL14099757 0.78 L3MBTL1 (0.44) TYRL3MBTL1FDPSCA12CA1
SCHEMBL1404052 0.76 HDAC1 (0.46) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12370920 0.76 TLR7 (0.53) L3MBTL1ALDH1A1LMNATLR7KDM4E
SCHEMBL164358 0.76 ALDH1A1 (0.40) L3MBTL1HDAC1HDAC8HDAC6ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN TYR 3276/4885L3MBTL1 3814/4885FDPS 289/4885

“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.