SCHEMBL206007

SCHEMBL206007

CN(Cc1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 1/20 0.48
RXRA P19793 2/20 0.48

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
SCHEMBL13687204 0.91 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL27598555 0.91 NPC1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL205522 0.89 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL206874 0.87 ALDH1A1 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL206739 0.86 LTB4R (0.52) ALDH1A1MAPTHPGDNR4A1NR4A2
SCHEMBL1901573 0.85 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL20683501 0.85 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL11872301 0.85 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL16980507 0.83 MEN1 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL31158013 0.83 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A

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 CHRNB2 4418/4885CHRNB4 4583/4885CHRNA3 3682/4885

“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.