SCHEMBL4849845

SCHEMBL4849845

CC(C)Oc1c(C(=O)O)sc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 1/20 0.62
EDNRA P25101 1/20 0.48
LMNA P02545 3/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
LIMK1 P53667 1/20 0.47
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 3/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4851294 0.86 KDM4E (0.73) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL4851436 0.84 KDM4E (0.67) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL31463247 0.84 KDM4E (0.67) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL4865754 0.82 KDM4E (0.71) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL13926043 0.79 KDM4E (0.71) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL5226998 0.77 KDM4E (1.00) KDM4EALDH1A1EDNRALMNAIKBKB
SCHEMBL4120254 0.77 KDM4E (0.68) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL2214437 0.77 EDNRA (0.62) KDM4EALDH1A1EDNRALMNAIKBKB
SCHEMBL9543845 0.76 KDM4E (0.57) KDM4EALDH1A1LMNAIKBKBCHUK
SCHEMBL843920 0.76 KDM4E (0.56) KDM4EALDH1A1LMNAIKBKBCHUK

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 6 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

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 1130/4885EDNRA 1079/4885

“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.