SCHEMBL15475895

SCHEMBL15475895

COc1cc(OC)cc(-c2c(O)nn(C)c2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.40
ABCB1 P08183 4/20 0.40
BCR P11274 4/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1B1 Q16678 5/20 0.37
CYP1A1 P04798 4/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
RXRA P19793 1/20 0.36
POLB P06746 1/20 0.36
FGFR1 P11362 2/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL15475490 0.77 SMN1; SMN2 (0.50) ABL1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL6289612 0.75 MAPT (0.50) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL1915201 0.69 MEN1 (0.51) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL173553 0.67 PDE2A (0.47) MAPTHPGDSMN1; SMN2POLBFGFR1
SCHEMBL6292681 0.66 MAPT (0.49) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10959421 0.64 RXRA (0.42) MAPTALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2936673 0.63 CYP3A4 (0.48) ABL1ABCB1BCRMAPTALDH1A1
SCHEMBL2954516 0.62 ALDH1A1 (0.79) ABL1ABCB1BCRALDH1A1CYP1B1
SCHEMBL2955890 0.62
SCHEMBL27316806 0.61 POLB (0.47) POLBFGFR1FGFR2FGFR4FGFR3

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 3 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
US-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 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-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE7A ABL1 1882/4885ABCB1 911/4885BCR 3464/4885

“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.