SCHEMBL4894777

SCHEMBL4894777

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CCC(=O)Nc2cccnc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.46
GRIK1 P39086 1/20 0.45
KCNMA1 Q12791 1/20 0.45
MAPT P10636 1/20 0.45
CYP11B2 P19099 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LRRK2 Q5S007 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.42
NOTUM Q6P988 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL14087768 0.89 ALDH1A1 (0.42) KMT2ALMNAMEN1KCNMA1SMN1; SMN2
SCHEMBL4894367 0.85 DHODH (0.43) KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL14087736 0.83 SMN1; SMN2 (0.50) KMT2ALMNAMEN1SMN1; SMN2MAPK1
SCHEMBL4884230 0.81 MAPT (0.43) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4895411 0.81 ALDH1A1 (0.45) KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL4894181 0.79 ALDH1A1 (0.46) KMT2ALMNASMN1; SMN2
SCHEMBL4887023 0.79 GABRP (0.51) KMT2ALMNAMEN1MAPTSMN1; SMN2
SCHEMBL4893232 0.78 PKM (0.45) KMT2ALMNAMEN1SMN1; SMN2MAPK1
SCHEMBL4896054 0.78 LMNA (0.48) KMT2ALMNAMEN1MAPTSMN1; SMN2
SCHEMBL4886969 0.78 SMN1; SMN2 (0.48) KMT2ALMNAMEN1MAPTSMN1; 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 2650/4885LMNA 3432/4885MEN1 3917/4885

“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.