SCHEMBL7311018

SCHEMBL7311018

N#C/C=C/c1c[nH]c2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NQO2 P16083 2/20 0.39
TDO2 P48775 4/20 0.38
APP P05067 1/20 0.37
NR0B1 P51843 1/20 0.36
HTT P42858 1/20 0.36
PIM1 P11309 1/20 0.36
AKT1 P31749 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL28765187 0.78 APP (0.50) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL29532289 0.77 APP (0.58) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL1520354 0.77 APP (0.58) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL1520356 0.77 APP (0.58) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL28968613 0.77 APP (0.58) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL7325786 0.76 CSNK2A1 (0.55) MCL1MAPT
SCHEMBL18552205 0.76 TDO2 (0.47) MCL1TDO2PIM1ACMSD
SCHEMBL18552020 0.72 NR4A2 (0.49) MCL1MAPK1TDO2PIM1
SCHEMBL24022670 0.70 PIM1 (0.50) MAPK1TDO2PIM1
SCHEMBL14828366 0.69 MCL1 (0.47) MCL1KDM4EALDH1A1LMNAACMSD

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-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 MCL1 696/4885KDM4E 3343/4885MEN1 4382/4885

“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.