SCHEMBL206204

SCHEMBL206204

COC(=O)c1cccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HTT P42858 1/20 0.59
ENPP2 Q13822 3/20 0.55
KDM4E B2RXH2 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B10 Q99714 4/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.49
MGLL Q99685 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL206214 0.90 KDM4E (0.49) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL206309 0.89 HSD17B10 (0.55) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL3400302 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL205824 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL3401687 0.84 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL206380 0.83 TSHR (0.66) KDM4EHSD17B10TSHRALDH1A1NPSR1
SCHEMBL28268704 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL2306241 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL5272899 0.80 KDM4E (0.60) SMN1; SMN2NPC1RAB9AKDM4ECYP2C19
SCHEMBL31439556 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTKDM4E

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.