SCHEMBL4894859

SCHEMBL4894859

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(C(C)(C)C)ccc2NC(=O)CCC(=O)N2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.39
TRPV4 Q9HBA0 1/20 0.38
TP53 P04637 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL4893921 0.88 KDM4E (0.45) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4896941 0.87 ALDH1A1 (0.47) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL21067812 0.87 ALDH1A1 (0.45) RAB9APOLBSMN1; SMN2NPC1MAPT
SCHEMBL4896113 0.85 MAPK1 (0.52) RAB9APOLBSMN1; SMN2NPC1KDM4E
SCHEMBL14102809 0.84 RAB9A (0.42) RAB9APOLBSMN1; SMN2NPC1MAPT
SCHEMBL4893101 0.83 ALDH1A1 (0.37) MAPTKDM4EALDH1A1L3MBTL1GAA
SCHEMBL4884288 0.80 ALDH1A1 (0.41) RAB9APOLBSMN1; SMN2NPC1MAPT
SCHEMBL4893189 0.79 L3MBTL1 (0.41) POLBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4894751 0.78 POLB (0.43) POLBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4886969 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2778/4885POLB 79/4885SMN1; SMN2 4735/4885

“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.