SCHEMBL14804144

SCHEMBL14804144

Cc1ccc(Nc2ncc(COc3cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ GPR119 Q8TDV5 3/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ SYK P43405 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ NPR3 P17342 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL14818909 0.87 GRM5 (0.42) HDAC3HDAC1HDAC2HDAC6GPR119
SCHEMBL14804138 0.77 P4HTM (0.49) HDAC3HDAC1HDAC2GPR119MAOB
SCHEMBL14804157 0.75 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6CCNA2
SCHEMBL6059910 0.71 SSTR4 (0.34) HDAC3HDAC1HDAC2HDAC6GPR119
SCHEMBL6059163 0.70 SSTR4 (0.34) HDAC3HDAC1HDAC2GPR119ALDH1A1
SCHEMBL6059049 0.69 USP30 (0.33) HDAC3HDAC1HDAC2GPR119
SCHEMBL14804139 0.69 USP30 (0.39) HDAC3HDAC1HDAC2GPR119ALDH1A1
SCHEMBL17943186 0.67 MEN1 (0.45) SYKNPR3MAPTALDH1A1NPC1
SCHEMBL31037750 0.67 P4HTM (0.41) LMNA
SCHEMBL13409594 0.66 USP30 (0.34) HDAC1HDAC2HDAC6GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HDAC3 800/4885HDAC1 503/4885HDAC2 865/4885

“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.

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