SCHEMBL206285

SCHEMBL206285

COC(=O)c1cccc2nc(C3CCN(C(=O)OCc4ccccc4)CC3)oc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.49
GRIN2B Q13224 9/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.45
CYP3A4 P08684 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL205524 0.91 HSD17B10 (0.42) SMN1; SMN2NPC1RAB9AHSD17B10GRIN2B
SCHEMBL204967 0.90 LCK (0.46) SMN1; SMN2NPC1RAB9AHSD17B10GRIN2B
SCHEMBL206528 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL206054 0.84 AADAT (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2710063 0.81 LMNA (0.52) SMN1; SMN2NPC1RAB9AHSD17B10GRIN2B
SCHEMBL205895 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL206737 0.79 LCK (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL30711214 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL20135500 0.78 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL2711768 0.77 LMNA (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US 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 SMN1; SMN2 1318/4885NPC1 2716/4885RAB9A 3649/4885

“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.