SCHEMBL4856080

SCHEMBL4856080

COC(=O)c1sc2ccncc2c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 5/20 0.59
HSD17B10 Q99714 5/20 0.59
GLA P06280 4/20 0.59
HPGD P15428 4/20 0.59
GAA P10253 3/20 0.59
CASP1 P29466 1/20 0.59
HTT P42858 1/20 0.59
CASP7 P55210 1/20 0.59
NCOA1 Q15788 1/20 0.59
RCE1 Q9Y256 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.40

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
SCHEMBL4858672 0.88 ALDH1A1 (0.72) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL1215521 0.84 CDC7 (0.50) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL30799595 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL31752331 0.84 KDM4E (0.79) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL7846644 0.84 KDM4E (0.79) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL4859874 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL31751211 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL4651653 0.78 MAPK1 (0.71) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL31347574 0.78 MAPK1 (0.71) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL1813746 0.76 ALDH1A1 (0.72) ALDH1A1KDM4EHSD17B10GLAHPGD

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 5 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 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 ALDH1A1 1130/4885KDM4E 2970/4885HSD17B10 2708/4885

“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.