SCHEMBL1962393

SCHEMBL1962393

Brc1ccc(CN2C=Cc3[nH]c(CCCc4ccccc4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.37
GSK3B P49841 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR2A P28223 1/20 0.32
HCAR2 Q8TDS4 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
IDO1 P14902 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PLAAT3 P53816 1/20 0.31
PLAAT5 Q96KN8 1/20 0.31
PLAAT2 Q9NWW9 1/20 0.31

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
SCHEMBL1959748 0.98 CLPP (0.37) CLPPGSK3BDAOALDH1A1LMNA
SCHEMBL1959835 0.93 CLPP (0.38) CLPPGSK3BALDH1A1LMNAKDM4E
SCHEMBL1961887 0.88 CLPP (0.39) CLPPALDH1A1LMNAKDM4EGAA
SCHEMBL1962303 0.83 RAB9A (0.44) CLPPALDH1A1LMNAKDM4EHPGD
SCHEMBL1962289 0.82 NPC1 (0.38) CLPPDAOALDH1A1LMNAKDM4E
SCHEMBL1960359 0.82 NPC1 (0.35) CLPPALDH1A1KDM4EHPGDNPC1
SCHEMBL1962577 0.80 MAPK13 (0.39) CLPPALDH1A1LMNAKDM4EGAA
SCHEMBL1959641 0.76 NPC1 (0.40) CLPPALDH1A1LMNAKDM4EHPGD
SCHEMBL2345294 0.76 CXCR2 (0.39) CLPPALDH1A1KDM4EGAANR1H2
SCHEMBL1958382 0.75 CXCR2 (0.38) CLPPALDH1A1GAAHPGDNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO 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 (2 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 CLPP 2023/4885GSK3B 1749/4885DAO 3141/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CLPP 1682/4885GSK3B 444/4885DAO 2549/4885

“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.