SCHEMBL4894886

SCHEMBL4894886

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CCC(=O)N(C)Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CACNA1G O43497 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ABCC1 P33527 1/20 0.39

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
SCHEMBL14103625 0.91 NPC1 (0.41) NPC1RAB9AALDH1A1NPSR1CACNA1G
SCHEMBL4894367 0.90 DHODH (0.43) ALDH1A1NPSR1KMT2ASMN1; SMN2HTT
SCHEMBL4894426 0.89 MAPK1 (0.43) NPC1RAB9AALDH1A1NPSR1KMT2A
SCHEMBL4895411 0.87 ALDH1A1 (0.45) ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL14087736 0.84 SMN1; SMN2 (0.50) ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL4894181 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1KMT2ASMN1; SMN2LMNA
SCHEMBL14102808 0.81 MAPK1 (0.42) NPC1RAB9AALDH1A1NPSR1KMT2A
SCHEMBL4896120 0.80 POLB (0.51) ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL4894933 0.80 DHODH (0.43) CACNA1GKMT2AMEN1HTTKDM4E
SCHEMBL4887551 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E

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 NPC1 1880/4885RAB9A 2778/4885ALDH1A1 276/4885

“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.