SCHEMBL4896609

SCHEMBL4896609

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.40
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4894751 0.91 POLB (0.43) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL21067812 0.90 ALDH1A1 (0.45) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4896082 0.90 POLB (0.43) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4882712 0.87 HTT (0.47) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4882718 0.86 KDM4E (0.55) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL14087733 0.86 POLB (0.48) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4893015 0.86 HPGD (0.44) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4893113 0.85 POLB (0.47) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4884249 0.85 KMT2A (0.43) KMT2APOLBKDM4ETDP1MEN1
SCHEMBL14087731 0.85 POLB (0.46) KMT2APOLBSMN1; SMN2L3MBTL1KDM4E

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 2650/4885POLB 79/4885SMN1; SMN2 4735/4885

“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.