SCHEMBL4887565

SCHEMBL4887565

C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
OPRK1 P41145 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 4/20 0.39
PKM P14618 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 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
SCHEMBL4887155 0.90 L3MBTL1 (0.44) ALDH1A1KDM4ECNR1CNR2OPRK1
SCHEMBL4892547 0.77 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4896093 0.76 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2OPRK1KMT2A
SCHEMBL4889461 0.74 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL4887551 0.73 ALDH1A1 (0.43) SLC6A9ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4892647 0.72 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL4893181 0.68 THRB (0.43) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4882730 0.67 THRB (0.42) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL4887134 0.65 HPGD (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2APKM
SCHEMBL8675410 0.64 KMT2A (0.53) ALDH1A1CNR1OPRK1KMT2APKM

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 1 patent. 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

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 SLC6A9 2208/4885ALDH1A1 276/4885KDM4E 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.