SCHEMBL8181539

SCHEMBL8181539

O=C(O)Cc1cn(CCCc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.52
MCL1 Q07820 3/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TBXAS1 P24557 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PLA2G4A P47712 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ICMT O60725 1/20 0.45
HDAC3 O15379 1/20 0.45
PLA2G2A P14555 2/20 0.45
KRAS P01116 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL7679351 0.85 ALDH1A1 (0.62) ALDH1A1LMNAPLA2G4AICMTPLA2G2A
SCHEMBL9236079 0.82 CDC25A (0.70) CDC25ACNR1CNR2ICMT
SCHEMBL20769653 0.79 ALDH1A1 (0.61) CDC25AMCL1TBXAS1ALDH1A1LMNA
SCHEMBL8176472 0.79 ALDH1A1 (0.55) CNR2ALDH1A1LMNAPLA2G4AICMT
SCHEMBL10696722 0.77 CNR2 (0.49) CDC25ACNR1CNR2TBXAS1ALDH1A1
SCHEMBL8171661 0.77 LMNA (0.75) ALDH1A1LMNAPLA2G4AICMTPLA2G2A
SCHEMBL8179565 0.77 ICMT (0.58) ALDH1A1LMNAPLA2G4AICMTPLA2G2A
SCHEMBL4668108 0.75 TBXAS1 (0.44) MCL1CNR1CNR2TBXAS1ALDH1A1
SCHEMBL8175259 0.75 PPARD (0.66) ALDH1A1LMNALTB4RLTB4R2ICMT
SCHEMBL8174648 0.74 PLA2G2A (0.61) ALDH1A1LMNAICMTPLA2G2APPARG

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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 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 (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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CDC25A 315/4885MCL1 2836/4885CNR1 866/4885

“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.