SCHEMBL4852010

SCHEMBL4852010

COc1c(C(=O)O)sc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
NCOA1 Q15788 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAOA P21397 2/20 0.39
EDNRA P25101 2/20 0.39
MCL1 Q07820 2/20 0.37
ACHE P22303 1/20 0.37
BCL2L1 Q07817 1/20 0.37
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
TBXAS1 P24557 2/20 0.36

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
SCHEMBL4857790 0.88 KDM4E (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4859874 0.87 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1098130 0.78 MCL1 (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17173229 0.77 MCL1 (0.51) GAAEDNRAMCL1BCL2L1PTPN1
SCHEMBL20955615 0.76 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30724572 0.75 ICAM1 (0.58) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL4860395 0.75 ALDH1A1 (0.70) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11798489 0.73 MCL1 (0.53) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL4856080 0.73 ALDH1A1 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5213792 0.72 ICAM1 (0.46) KDM4EALDH1A1EDNRAICAM1SELE

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-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US claimed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP claimed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US claimed
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 KDM4E 2970/4885ALDH1A1 1130/4885GLA 3838/4885

“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.