SCHEMBL205563

SCHEMBL205563

CC(=O)Nc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
PARP1 P09874 2/20 0.57
DHODH Q02127 2/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 3/20 0.51
CASP3 P42574 3/20 0.51
SENP7 Q9BQF6 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TOP2A P11388 1/20 0.49
CEPT1 Q9Y6K0 1/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 1/20 0.47
NPY1R P25929 1/20 0.47

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
SCHEMBL205422 0.88 PARP1 (0.56) NPC1RAB9APARP1DHODHMEN1
SCHEMBL204524 0.83 PARP1 (0.53) NPC1RAB9APARP1KDM4EALDH1A1
SCHEMBL3710917 0.82 TOP2A (0.58) NPC1RAB9APARP1DHODHKDM4E
SCHEMBL206525 0.82 PARP1 (0.52) NPC1RAB9APARP1MEN1KMT2A
SCHEMBL204764 0.82 TOP2A (0.61) NPC1RAB9APARP1DHODHKDM4E
SCHEMBL205454 0.81 TOP2A (0.48) NPC1RAB9APARP1KDM4EALDH1A1
SCHEMBL206399 0.81 HTR3A (0.53) NPC1RAB9APARP1MEN1KMT2A
SCHEMBL206391 0.81 PARP1 (0.53) PARP1TOP2A
SCHEMBL1387272 0.80 PARP1 (0.58) NPC1RAB9APARP1MEN1KMT2A
SCHEMBL205875 0.80 PARP1 (0.58) NPC1PARP1POLBKDM4EALDH1A1

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 NPC1 2716/4885RAB9A 3649/4885PARP1 1/4885

“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.