SCHEMBL14912427

SCHEMBL14912427

COc1ccc2nc(C=CBr)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCF1 P14598 1/20 0.56
NQO1 P15559 1/20 0.53
F2R P25116 8/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14912423 1.00 HDAC8 (0.59) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL29597329 0.90 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL19076213 0.83 KDM4E (0.61) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL29021885 0.83 KDM4E (0.61) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL19076232 0.82 HDAC8 (0.55) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL30442203 0.82 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL29022054 0.82 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL19076223 0.81 HDAC8 (0.54) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL3824704 0.81 HDAC8 (0.57) HDAC8HDAC6HDAC2HDAC1HDAC3
SCHEMBL1337274 0.81 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC1HDAC3

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-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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 (3 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B HDAC8 1697/4885HDAC6 1300/4885HDAC2 990/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B HDAC8 1697/4885HDAC6 1300/4885HDAC2 990/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A HDAC8 578/4885HDAC6 123/4885HDAC2 275/4885

“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.