SCHEMBL4744922

SCHEMBL4744922

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)C2CCCN2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
ROCK2 O75116 2/20 0.39
PSMB8 P28062 2/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 3/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
FLT3 P36888 1/20 0.36
HDAC2 Q92769 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
SCHEMBL14087809 1.00 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2KDM4EAAK1ROCK2
Hydrochloric Acid SCHEMBL4743895 0.99 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2KDM4EAAK1ROCK2
SCHEMBL14113244 0.88 ALDH1A1 (0.49) KDM4EROCK2PSMB8ALDH1A1NPSR1
SCHEMBL14087734 0.83 MEN1 (0.44) L3MBTL1SMN1; SMN2KDM4EAAK1RAB9A
SCHEMBL14112953 0.80 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2KDM4EAAK1ALDH1A1
SCHEMBL4890917 0.79 KDM4E (0.41) L3MBTL1SMN1; SMN2KDM4EAAK1RAB9A
SCHEMBL14087741 0.79 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2KDM4EAAK1ALDH1A1
SCHEMBL14087746 0.79 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EAAK1ALDH1A1
SCHEMBL14087735 0.79 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2KDM4EAAK1ALDH1A1
SCHEMBL4894721 0.78 AAK1 (0.43) L3MBTL1SMN1; SMN2KDM4EAAK1RAB9A

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 2 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

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 L3MBTL1 3221/4885SMN1; SMN2 4735/4885KDM4E 2519/4885

“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.