SCHEMBL3815261

SCHEMBL3815261

COc1cc2c(cc1OC)OC(C#N)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
ATM Q13315 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL10926721 0.71 CYP3A4 (0.48) ALDH1A1CYP3A4MAPTACHECYP2D6
SCHEMBL3815047 0.70 PRKAB2 (0.46) ALDH1A1GAASMN1; SMN2KDM4ECYP3A4
SCHEMBL13715526 0.68 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2KDM4ECYP3A4
SCHEMBL7431595 0.67 CYP3A4 (0.43) ALDH1A1CYP3A4MAPTACHECYP2D6
SCHEMBL333286 0.67 CYP3A4 (0.43) ALDH1A1CYP3A4MAPTACHECYP2D6
SCHEMBL13428611 0.67 CYP3A4 (0.43) ALDH1A1CYP3A4MAPTACHECYP2D6
SCHEMBL29693809 0.67 CYP3A4 (0.43) ALDH1A1CYP3A4MAPTACHECYP2D6
SCHEMBL25199277 0.65 CYP3A4 (0.52) ALDH1A1GAAKDM4ECYP3A4MAPT
SCHEMBL13952788 0.65 TDP1 (0.32) ALDH1A1CYP3A4MAPTCYP2D6ALOX15
SCHEMBL10925692 0.65 MAPT (0.45) ALDH1A1GAASMN1; SMN2KDM4ECYP3A4

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
EP-1430040-B1 BENZOTHIAZEPINE DERIVATIVES ALBIREO AB (SE) 2009-08-05 EP disclosed
US-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP disclosed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 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-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 ALDH1A1 941/4885GAA 1070/4885SMN1; SMN2 4599/4885

“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.