SCHEMBL4894885

SCHEMBL4894885

C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CNC(=O)c2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
GAA P10253 2/20 0.43
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41

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
SCHEMBL4893177 0.89 NAMPT (0.44) KMT2AMEN1TP53NPC1L3MBTL1
SCHEMBL4882720 0.88 HTT (0.50) KMT2AMEN1NPC1THRBGAA
SCHEMBL4886340 0.87 TSHR (0.51) KMT2AMEN1NPC1L3MBTL1SMN1; SMN2
SCHEMBL4883919 0.87 RAB9A (0.46) KMT2AMEN1NPC1THRBGAA
SCHEMBL4892453 0.82 HTT (0.46) KMT2AMEN1NPC1THRBGAA
SCHEMBL4889473 0.81 L3MBTL1 (0.52) KMT2AMEN1NPC1L3MBTL1GAA
SCHEMBL14103291 0.80 TSHR (0.49) KMT2AMEN1NPC1L3MBTL1SMN1; SMN2
SCHEMBL4896087 0.78 HTT (0.64) KMT2AMEN1L3MBTL1HTTSMN1; SMN2
SCHEMBL4892985 0.78 ALDH1A1 (0.52) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4892539 0.76 GAA (0.43) KMT2AMEN1GAAHTTSMN1; SMN2

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 KMT2A 2650/4885MEN1 3917/4885TP53 2165/4885

“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.