SCHEMBL205367

SCHEMBL205367

COC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3CCN(C(=O)C4CC4)CC3)c2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MGLL Q99685 1/20 0.45
GAA P10253 1/20 0.44
HTR1F P30939 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL206954 0.81 RBP4 (0.57) GAAKMT2AMEN1ALDH1A1RBP4
SCHEMBL205252 0.74 ALDH1A1 (0.67) TSHRHSD17B10KDM4EMAPK1GAA
SCHEMBL3429536 0.74 MGLL (0.45) MGLLKMT2AMEN1PARP1L3MBTL3
SCHEMBL9129050 0.74 TSHR (0.61) TSHRHSD17B10KDM4EMAPK1CYP2C19
SCHEMBL207341 0.71 L3MBTL3 (0.62) TSHRMAPK1MGLLGAAKMT2A
SCHEMBL204144 0.71 HSD17B10 (0.54) TSHRHSD17B10KDM4EMAPK1CYP2C19
SCHEMBL1937228 0.71 GAA (0.62) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL206520 0.71 NPC1 (0.49) MAPK1MGLLGAAKMT2AMEN1
SCHEMBL205620 0.70 ADRB2 (0.55) TSHRHSD17B10MAPK1MGLLGAA
SCHEMBL204732 0.70 KDM4E (0.65) TSHRHSD17B10KDM4EMAPK1KMT2A

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 TSHR 3753/4885HSD17B10 1316/4885KDM4E 1650/4885

“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.