SCHEMBL206203

SCHEMBL206203

COC(=O)c1cccc(NC(=O)C2CCN(C(=O)O)C(Cc3ccccc3)C2)c1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
HSD17B10 Q99714 8/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.42
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL3401687 0.80 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL206308 0.79 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL206204 0.77 SMN1; SMN2 (0.62) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL3401190 0.76 MEN1 (0.54) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL3396366 0.75 HSD17B10 (0.56) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL6952343 0.73 L3MBTL1 (0.49) POLB
SCHEMBL206214 0.73 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL3434303 0.73 NPSR1 (0.66) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL580852 0.73 PSEN1 (0.49) HSD17B10ALDH1A1HPGDNPSR1POLB
SCHEMBL206309 0.72 HSD17B10 (0.55) KDM4EHSD17B10ALDH1A1HPGDNPSR1

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 KDM4E 1650/4885HSD17B10 1316/4885ALDH1A1 398/4885

“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.