SCHEMBL4883919

SCHEMBL4883919

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(C(C)(C)C)ccc2NC(=O)CNC(=O)c2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
THRB P10828 1/20 0.39
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CNR2 P34972 2/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4893177 0.89 NAMPT (0.44) MAPTHTTKMT2AMEN1NPC1
SCHEMBL4882720 0.88 HTT (0.50) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL4894885 0.87 KMT2A (0.46) HTTALDH1A1KMT2AMEN1NPC1
SCHEMBL4886340 0.86 TSHR (0.51) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4893189 0.83 L3MBTL1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4892453 0.82 HTT (0.46) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL4892985 0.78 ALDH1A1 (0.52) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL4896087 0.78 HTT (0.64) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL14103291 0.78 TSHR (0.49) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4895123 0.77 HTT (0.48) MAPTHTTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E RAB9A 2778/4885MAPT 3976/4885HTT 2341/4885

“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.