SCHEMBL4887300

SCHEMBL4887300

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
GSK3B P49841 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4884232 0.90 ALDH1A1 (0.47) KDM4EALDH1A1GAAHTT
SCHEMBL4896562 0.89 LMNA (0.47) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL4887422 0.89 NAMPT (0.54) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL4883875 0.88 HDAC1 (0.40) CFDKDM4EALDH1A1KMT2AMEN1
SCHEMBL4896179 0.85 RAB9A (0.58) KDM4EALDH1A1GAAKMT2ARAB9A
SCHEMBL4892975 0.84 CYP1A2 (0.50) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL4887134 0.83 HPGD (0.47) KDM4EALDH1A1POLBKMT2AHPGD
SCHEMBL4886310 0.82 ABCC1 (0.53) KDM4EALDH1A1POLBKMT2ARAB9A
SCHEMBL4893146 0.82 EPHX2 (0.44) KDM4EALDH1A1POLBKMT2ARAB9A
SCHEMBL4889436 0.82 NPC1 (0.40) KDM4EALDH1A1GAAPOLBKMT2A

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
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
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

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 CFD 1711/4885KDM4E 2519/4885ALDH1A1 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.