SCHEMBL4865754

SCHEMBL4865754

CCOc1c(C(=O)O)sc2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 1/20 0.71
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
LIMK1 P53667 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL4860359 0.86 KDM4E (0.71) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL13926043 0.86 KDM4E (0.71) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL31463247 0.85 KDM4E (0.67) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL4851436 0.85 KDM4E (0.67) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL5226998 0.83 KDM4E (1.00) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL4120254 0.83 KDM4E (0.68) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL4849845 0.82 KDM4E (0.62) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL9541329 0.80 KDM4E (0.64) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL15697532 0.78 PTPN2 (0.56) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL9543845 0.78 KDM4E (0.57) KDM4EALDH1A1KMT2ANPSR1CYP1A2

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 1130/4885KMT2A 2929/4885

“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.