SCHEMBL205769

SCHEMBL205769

COC(=O)c1cccc2nc(C34CCCN(CC3)C4)oc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
CRBN Q96SW2 1/20 0.38
ESR2 Q92731 1/20 0.38
CETP P11597 1/20 0.37
HTR3A P46098 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL204810 0.83 PARP1 (0.37) SMN1; SMN2KDM4EALDH1A1
SCHEMBL204539 0.80 ESR1 (0.37) SMN1; SMN2KDM4EALDH1A1ESR2
SCHEMBL206585 0.73 DHODH (0.38) SMN1; SMN2KDM4EKMT2AALDH1A1ESR2
SCHEMBL4308500 0.72 TOP2A (0.50) HSD17B10KDM4EKMT2AALDH1A1MEN1
SCHEMBL206188 0.72 HCRTR1 (0.40) KDM4EKMT2AALDH1A1GAA
SCHEMBL2826621 0.69 KDM4E (0.51) KDM4EKMT2AALDH1A1MEN1PKM
SCHEMBL3576266 0.69 KDM4E (0.46) HSD17B10KDM4EKMT2AALDH1A1MEN1
SCHEMBL1201264 0.69 ALDH1A1 (0.47) HSD17B10KDM4EKMT2AALDH1A1MEN1
SCHEMBL4321234 0.67 ELANE (0.47) KDM4EKMT2AALDH1A1MEN1PKM
SCHEMBL9126988 0.66 DHODH (0.70) HSD17B10SMN1; SMN2KDM4EKMT2AALDH1A1

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 2 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
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 HSD17B10 1316/4885SMN1; SMN2 1318/4885KDM4E 1650/4885

“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.