SCHEMBL4883875

SCHEMBL4883875

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2ccc(N(C)C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
NAMPT P43490 2/20 0.36
CFD P00746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL4887300 0.88 CFD (0.49) TRPV1KDM4ECFDL3MBTL1ALDH1A1
SCHEMBL4884232 0.87 ALDH1A1 (0.47) KDM4ENAMPTALDH1A1HTT
SCHEMBL4889541 0.82 KDM4E (0.42) KDM4ESMN1; SMN2L3MBTL1ALDH1A1CYP3A4
SCHEMBL4887422 0.81 NAMPT (0.54) KDM4ENAMPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4892975 0.79 CYP1A2 (0.50) KDM4ESMN1; SMN2L3MBTL1ALDH1A1CYP3A4
SCHEMBL4889436 0.79 NPC1 (0.40) KDM4ESMN1; SMN2L3MBTL1ALDH1A1ALOX15
SCHEMBL4893146 0.79 EPHX2 (0.44) HDAC1HDAC6EPHX2KDM4ENAMPT
SCHEMBL4896179 0.79 RAB9A (0.58) KDM4ESMN1; SMN2ALDH1A1CYP3A4ALOX15
SCHEMBL4896562 0.78 LMNA (0.47) KDM4ESMN1; SMN2L3MBTL1ALDH1A1CYP3A4
SCHEMBL4892221 0.78 ALDH1A1 (0.48) KDM4ESMN1; SMN2L3MBTL1ALDH1A1CYP3A4

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 4 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
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 HDAC1 960/4885HDAC2 1582/4885HDAC10 1171/4885

“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.