SCHEMBL206308

SCHEMBL206308

COC(=O)c1cccc(NC(=O)C2CCCN(C(=O)O)C2Cc2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR3 P51677 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
SCHEMBL206203 0.79 KDM4E (0.46) KDM4EHSD17B10TSHRRECQLALDH1A1
SCHEMBL206380 0.77 TSHR (0.66) KDM4EHSD17B10TSHRALDH1A1NPSR1
SCHEMBL3434303 0.77 NPSR1 (0.66) KDM4EHSD17B10TSHRRECQLALDH1A1
SCHEMBL3396366 0.75 HSD17B10 (0.56) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL3401687 0.74 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL206309 0.72 HSD17B10 (0.55) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL3401190 0.72 MEN1 (0.54) KDM4EHSD17B10TSHRRECQLALDH1A1
SCHEMBL206204 0.71 SMN1; SMN2 (0.62) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL206310 0.71 OPRM1 (0.43) HSD17B10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL204952 0.71 SCD5 (0.43)

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 1316/4885TSHR 3753/4885

“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.