SCHEMBL14352147

SCHEMBL14352147

CON1Cc2c(cccc2-c2ccncc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.40
UGCG Q16739 4/20 0.38
CYP19A1 P11511 4/20 0.36
PIK3CD O00329 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL14362107 0.89 DHPS (0.38) DHPSUGCGCYP46A1MAPK14
SCHEMBL14352611 0.85 DHPS (0.57) DHPSCYP19A1KDM4EALDH1A1HPGD
SCHEMBL14353179 0.82 HDAC4 (0.44) UGCGKDM4ESMN1; SMN2
SCHEMBL14352606 0.76 ADRA1A (0.40) UGCGALDH1A1
SCHEMBL22625713 0.75 BRD4 (0.44) UGCGKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20645748 0.75 UGCG (0.51) UGCGKDM4E
SCHEMBL14352487 0.74 UGCG (0.36) UGCG
SCHEMBL29845321 0.73 DHPS (0.45) DHPSPIK3CDKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL14362207 0.73 HDAC4 (0.39) UGCGKDM4E
SCHEMBL30701033 0.72 BUB1 (0.43) DHPS

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-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-09 US disclosed
US-9938269-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2018-04-10 US disclosed
EP-2726479-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-05-07 EP disclosed
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT LABORATORIES (US) 2013-01-03 US disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 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 (2 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-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A DHPS 1498/4885UGCG 2624/4885CYP19A1 561/4885
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A DHPS 1498/4885UGCG 2624/4885CYP19A1 561/4885

“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.