SCHEMBL4886249

SCHEMBL4886249

CCC1CC(C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.33

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 0.93 POLB (0.43) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4884288 0.90 ALDH1A1 (0.41) POLBKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL4887377 0.85 POLB (0.43) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4896609 0.84 KMT2A (0.47) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4896082 0.83 POLB (0.43) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL21067812 0.83 ALDH1A1 (0.45) POLBKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL4893569 0.83 POLB (0.40) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4892541 0.82 POLB (0.39) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL14103274 0.82 ALDH1A1 (0.40) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4886969 0.82 SMN1; SMN2 (0.48) KDM4EMAPK1SMN1; SMN2TSHRKMT2A

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 POLB 79/4885KDM4E 2519/4885TDP1 3918/4885

“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.