SCHEMBL4886310

SCHEMBL4886310

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.53
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.40
KRAS P01116 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4884292 0.89 DHODH (0.45) ABCC1KDM4ELMNAHTTKMT2A
SCHEMBL4894426 0.88 MAPK1 (0.43) ABCC1KDM4ERAB9AKRASPOLB
SCHEMBL4895856 0.87 KDM4E (0.43) ABCC1KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL4893826 0.84 KDM4E (0.42) KDM4ERAB9AL3MBTL1POLBALDH1A1
SCHEMBL4887300 0.82 CFD (0.49) KDM4ERAB9APLA2G1BATG4BL3MBTL1
SCHEMBL4887134 0.80 HPGD (0.47) KDM4ERAB9AL3MBTL1POLBALDH1A1
SCHEMBL4896562 0.80 LMNA (0.47) KDM4EL3MBTL1POLBALDH1A1MEN1
SCHEMBL4884309 0.79 MAPT (0.40) KDM4ERAB9AL3MBTL1POLBALDH1A1
SCHEMBL14102808 0.79 MAPK1 (0.42) ABCC1KDM4ERAB9AKRASPOLB
SCHEMBL4894933 0.78 DHODH (0.43) KDM4EPOLBMAPTMEN1HTT

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 ABCC1 2343/4885UBE2M 1051/4885DCUN1D1 2823/4885

“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.