SCHEMBL15475490

SCHEMBL15475490

COc1ccc(-c2c(O)nn(C)c2N)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGDS O60760 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ERN1 O75460 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
EPHB4 P54760 1/20 0.41

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
SCHEMBL6289612 0.74 MAPT (0.50) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL6292681 0.71 MAPT (0.49) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL15475705 0.71 KDM1A (0.36) PIK3CDSRCPOLB
SCHEMBL28921643 0.70 PAX8 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL2936122 0.68 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1CA1CA2
SCHEMBL27613033 0.67 APP (0.51) SMN1; SMN2KDM4EALDH1A1CA1CA2
SCHEMBL28612774 0.67 TUBB4A (0.49) SMN1; SMN2SRCFYNPOLB
SCHEMBL11652586 0.67 L3MBTL1 (0.52) SMN1; SMN2KDM4EALDH1A1CA1CA2
SCHEMBL8840880 0.67 PDE4A (0.67) SMN1; SMN2KDM4EALDH1A1CA1CA2
SCHEMBL19668723 0.66 MAPT (0.47) SMN1; SMN2ALDH1A1CA1CA2MAPT

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-2885299-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-05 EP disclosed
US-9464085-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-11 US disclosed
EP-2885299-A1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2015-06-24 EP disclosed
US-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 US disclosed
WO-2014027078-A1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 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-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE7A SMN1; SMN2 2218/4885KDM4E 2279/4885ALDH1A1 419/4885

“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.