SCHEMBL4893101

SCHEMBL4893101

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4896483 0.87 L3MBTL1 (0.43) ALDH1A1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL4895411 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1KMT2A
SCHEMBL4886327 0.86 POLB (0.46) ALDH1A1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL4889525 0.84 SMN1; SMN2 (0.44) ALDH1A1NPSR1L3MBTL1MAPTTSHR
SCHEMBL4894859 0.83 RAB9A (0.43) ALDH1A1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL14102823 0.82 KDM4E (0.36) ALDH1A1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL4893189 0.82 L3MBTL1 (0.41) ALDH1A1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL4887377 0.79 POLB (0.43) ALDH1A1KDM4ENPSR1L3MBTL1TSHR
SCHEMBL4883942 0.76 POLB (0.47) ALDH1A1KDM4EL3MBTL1
SCHEMBL4894181 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ENPSR1TSHRKMT2A

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 ALDH1A1 276/4885KDM4E 2519/4885NPSR1 2465/4885

“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.