SCHEMBL205765

SCHEMBL205765

COC(=O)c1ccc(CCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.65
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.54
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PKM P14618 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL25335534 0.88 MAPT (0.57) MGLLMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL2851561 0.87 LMNA (0.61) MAPTLMNASMN1; SMN2L3MBTL1HTT
SCHEMBL15876191 0.87 LMNA (0.52) MGLLMAPTLMNASMN1; SMN2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.87 LMNA (0.73) MAPTLMNASMN1; SMN2L3MBTL1HTT
SCHEMBL8456195 0.87 SMN1; SMN2 (0.70) MGLLMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL4766309 0.86 SMN1; SMN2 (0.62) MAPTLMNASMN1; SMN2RAB9AGAA
SCHEMBL4469807 0.85 MGLL (0.49) MGLLMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL27960579 0.85 ALDH1A1 (0.52) MGLLMAPTLMNASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5654578 0.85 ANPEP (0.52) MGLLMAPTLMNAHTTALDH1A1
SCHEMBL6558232 0.85 SMN1; SMN2 (0.58) MAPTLMNASMN1; SMN2L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 MGLL 3350/4885MAPT 1527/4885LMNA 154/4885

“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.