SCHEMBL4894426

SCHEMBL4894426

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
ABCC1 P33527 2/20 0.39
KRAS P01116 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL14102808 0.91 MAPK1 (0.42) MAPK1NPC1RAB9APOLBKDM4E
SCHEMBL4894933 0.90 DHODH (0.43) MAPK1POLBKDM4ETDP1KMT2A
SCHEMBL4894886 0.89 NPC1 (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4886310 0.88 ABCC1 (0.53) RAB9APOLBKDM4EKMT2AMEN1
SCHEMBL4886327 0.87 POLB (0.46) MAPK1POLBKDM4ETDP1KMT2A
SCHEMBL4886278 0.86 POLB (0.38) MAPK1NPC1RAB9APOLBKDM4E
SCHEMBL4896562 0.85 LMNA (0.47) MAPK1NPC1POLBKDM4ETDP1
SCHEMBL4882718 0.84 KDM4E (0.55) MAPK1POLBKDM4ETDP1KMT2A
SCHEMBL4883942 0.83 POLB (0.47) MAPK1POLBKDM4ETDP1ALDH1A1
SCHEMBL14087733 0.82 POLB (0.48) MAPK1RAB9APOLBKDM4ETDP1

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 MAPK1 3579/4885NPC1 1880/4885RAB9A 2778/4885

“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.