SCHEMBL4893232

SCHEMBL4893232

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2cccnc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
SORT1 Q99523 1/20 0.37

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) PKMMAPK1GAASMN1; SMN2TDP1
SCHEMBL4882720 0.87 HTT (0.50) GAASMN1; SMN2POLBHSD17B10KDM4E
SCHEMBL4894933 0.83 DHODH (0.43) MAPK1GAAPOLBKDM4ETDP1
SCHEMBL4894528 0.83 MAPT (0.43) MAPK1GAASMN1; SMN2POLBKDM4E
SCHEMBL14103282 0.82 PKM (0.46) PKMMAPK1GAASMN1; SMN2POLB
SCHEMBL14087733 0.82 POLB (0.48) MAPK1GAASMN1; SMN2POLBKDM4E
SCHEMBL4882718 0.82 KDM4E (0.55) MAPK1GAASMN1; SMN2POLBKDM4E
SCHEMBL4892453 0.81 HTT (0.46) GAASMN1; SMN2POLBHSD17B10KDM4E
SCHEMBL4893113 0.81 POLB (0.47) MAPK1GAASMN1; SMN2POLBKDM4E
SCHEMBL4894874 0.80 KMT2A (0.53) GAASMN1; SMN2POLBKDM4EL3MBTL1

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 PKM 2181/4885MAPK1 3579/4885GAA 1626/4885

“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.