SCHEMBL1614464

SCHEMBL1614464

COc1ccc(Cn2ccc3cc(C(=O)O)cnc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
METAP2 P50579 1/20 0.49
PTPN11 Q06124 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALKBH1 Q13686 1/20 0.45
PTGER4 P35408 1/20 0.44

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
SCHEMBL6840435 0.84 HDAC2 (0.46) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL28193936 0.83 METAP2 (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL4789449 0.81 PDE1B (0.46) PTPN11NPC1POLBRAB9ASMN1; SMN2
SCHEMBL28573537 0.80 HDAC6 (0.76) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL23675313 0.79 PTPN11 (0.51) PTPN11
SCHEMBL18108900 0.79 HDAC6 (0.62) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL14822494 0.78 MGAM (0.44) HDAC3HDAC1HDAC2MAPT
SCHEMBL30479467 0.78 MGAM (0.44) HDAC3HDAC1HDAC2MAPT
SCHEMBL24071215 0.77 HDAC8 (0.76) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL16794758 0.77 FGFR1 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
WO-2010051196-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 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-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES APBA1, APP, BACE1 HDAC8 1306/4885HDAC6 930/4885HDAC11 270/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT HDAC8 1413/4885HDAC6 551/4885HDAC11 817/4885

“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.