SCHEMBL16146352

SCHEMBL16146352

Cn1cc(C(=O)O)c(C(=O)O)c(Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
MAP2K1 Q02750 2/20 0.35
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP2K2 P36507 1/20 0.31

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
SCHEMBL16053761 0.85 BRD4 (0.48) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL17156668 0.85 BRD4 (0.41) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL1516488 0.78 BRD4 (0.39) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL393972 0.76 MAP2K1 (0.46) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL16083401 0.74 BRD4 (0.54) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL10251549 0.73 BRD4 (0.53) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL16153829 0.73 BRD4 (0.45) BRD4L3MBTL1KMT2AMEN1MAP2K1
SCHEMBL7928003 0.72 NOTUM (0.40) KMT2AMEN1POLBNOTUMALDH1A1
SCHEMBL2975718 0.72 KMT2A (0.60) BRD4L3MBTL1KMT2AMEN1RAB9A
SCHEMBL2976076 0.72 TP53 (0.39) BRD4L3MBTL1KMT2AMEN1RAB9A

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-2970258-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2018-04-18 EP disclosed
US-9475808-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
US-20160002231-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-01-07 US disclosed
US-9163019-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-20 US disclosed
US-20140303153-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-09 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 (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-20140303153-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A BRD4 4484/4885L3MBTL1 3920/4885KMT2A 2130/4885
US-20160002231-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A BRD4 4484/4885L3MBTL1 3920/4885KMT2A 2130/4885

“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.