SCHEMBL4389329

SCHEMBL4389329

O=C(O)c1cc2c(s1)c(C1CCCCC1)c1n2CCN(CCN2CCC2)Cc2ccccc2-1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.34
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
NOTUM Q6P988 1/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MEN1 O00255 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
SCHEMBL4390041 0.96 ALDH1A1 (0.37) SIGMAR1KDM4EALDH1A1LMNAHPGD
SCHEMBL4387692 0.94 MMP12 (0.36) KDM4EALDH1A1HPGDMAPK1MMP12
SCHEMBL4383179 0.93 KDM4E (0.32) SIGMAR1KDM4EALDH1A1LMNAHPGD
SCHEMBL4382706 0.91 DHODH (0.32) KDM4EALDH1A1LMNAHPGDNOTUM
SCHEMBL2156557 0.90 PRKCA (0.39) SIGMAR1KDM4EALDH1A1LMNAKMT2A
SCHEMBL4394890 0.88 PRKCA (0.34) SIGMAR1KDM4EALDH1A1LMNAKMT2A
SCHEMBL4387244 0.88 PRKCA (0.35) KDM4EALDH1A1LMNAKMT2ATP53
SCHEMBL2156837 0.87 KDM4E (0.34) SIGMAR1KDM4EALDH1A1LMNAHPGD
SCHEMBL4394861 0.87 CHRM1 (0.36) LMNAKMT2ATP53HTTMEN1
SCHEMBL13476327 0.84 SIGMAR1 (0.34) SIGMAR1KDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US claimed

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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L SIGMAR1 798/4885KDM4E 3275/4885ALDH1A1 433/4885

“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.