SCHEMBL204780

SCHEMBL204780

COC(=O)c1cccc(NC(=O)c2ccc(-c3cccnc3)cc2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ABCB1 P08183 5/20 0.53
DEGS1 O15121 1/20 0.52
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
NAMPT P43490 1/20 0.49
SLC2A1 P11166 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL204534 0.90 KDM4E (0.55) ABCB1CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL207099 0.88 TSHR (0.52) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL204732 0.87 KDM4E (0.65) LMNAKDM4ESMN1; SMN2TSHRTP53
SCHEMBL505555 0.87 NPC1 (0.61) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL204144 0.83 HSD17B10 (0.54) LMNAKDM4ENPC1RAB9AGAA
SCHEMBL204594 0.81 TTK (0.51) LMNAKDM4EGAA
SCHEMBL206176 0.80 TRPV1 (0.52) LMNAKDM4ENPC1RAB9AGAA
SCHEMBL9129050 0.79 TSHR (0.61) KDM4EPKMNPC1RAB9AGAA
SCHEMBL14082539 0.79 MAPT (0.74) MKNK1MKNK2ABCB1LMNASMN1; SMN2
SCHEMBL12369423 0.78 ABCB1 (0.64) ABCB1CYP19A1CYP11B1CYP11B2KDM4E

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 MKNK1 2381/4885MKNK2 2145/4885ABCB1 521/4885

“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.