SCHEMBL206874

SCHEMBL206874

COC(=O)c1ccc(CN(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TSHR P16473 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 1/20 0.55
MAPT P10636 3/20 0.55
PKM P14618 1/20 0.52
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50

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
SCHEMBL206007 0.87 CHRNB2 (0.53) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL13687204 0.87 CHRNB2 (0.61) ALDH1A1HPGDSMN1; SMN2NPC1MAPK1
SCHEMBL205522 0.85 CHRNB2 (0.51) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL5190268 0.83 NPC1 (0.51) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL20683501 0.82 CHRNB2 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1CYP3A4
SCHEMBL1901573 0.82 CHRNB2 (0.53) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL7141209 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL5151557 0.81 CA1 (0.56) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL2790849 0.81 CYP3A4 (0.51) ALDH1A1TSHRHPGDKDM4ESMN1; SMN2
SCHEMBL13052122 0.81 ACHE (0.66) ALDH1A1TSHRKDM4ESMN1; SMN2NPC1

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 ALDH1A1 398/4885TSHR 3753/4885HPGD 422/4885

“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.