SCHEMBL2313404

SCHEMBL2313404

NC(=O)C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
HDAC8 Q9BY41 2/20 0.43
PYGL P06737 7/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRNP P04156 1/20 0.40
PARP1 P09874 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
GCGR P47871 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL2312834 0.93 HDAC8 (0.42) ELANEHDAC8PYGLMEN1KMT2A
SCHEMBL2314270 0.91 PYGL (0.47) HDAC8PYGLMEN1KMT2A
SCHEMBL2310490 0.91 PYGL (0.47) HDAC8PYGLMEN1KMT2A
SCHEMBL2310351 0.87 PYGL (0.51) HDAC8PYGLMEN1KMT2A
SCHEMBL2306247 0.86 IDO1 (0.46) HDAC8PYGL
SCHEMBL2311918 0.86 PYGL (0.42) HDAC8PYGLMEN1KMT2A
SCHEMBL2307896 0.85 ITGB1 (0.43) PYGLMEN1KMT2A
SCHEMBL2308257 0.85 CYP3A4 (0.42) HDAC8PYGLMEN1KMT2APRNP
SCHEMBL2311936 0.84 ITGB1 (0.41) HDAC8PYGLMEN1KMT2APRNP
SCHEMBL2308273 0.84 PYGL (0.41) HDAC8PYGLMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US claimed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US claimed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP claimed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO claimed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ELANE 4701/4885HDAC8 4794/4885PYGL 2004/4885

“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.