SCHEMBL4892038

SCHEMBL4892038

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)C2CCCCC2C(=O)N2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
ADAM10 O14672 1/20 0.37
ERBB2 P04626 1/20 0.37
MMP2 P08253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ALB P02768 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14087746 0.83 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1MAPTRECQL
SCHEMBL14087761 0.82 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL14087759 0.82 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL21067812 0.79 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4895027 0.78 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14087809 0.78 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4744922 0.78 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4893496 0.78 MAPT (0.41) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4896496 0.77 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14087739 0.77 KMT2A (0.44) ALDH1A1KMT2AKDM4EPOLBNPSR1

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 SMN1; SMN2 4735/4885L3MBTL1 3221/4885ALDH1A1 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.