SCHEMBL205689

SCHEMBL205689

CN(Cc1ccc(-c2nc3c(C(=O)Cl)cccc3o2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
HTR3A P46098 3/20 0.39
CEPT1 Q9Y6K0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ABCC1 P33527 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL204279 0.93 TOP2A (0.47) TOP2AHTR3ACEPT1ALDH1A1HPGD
SCHEMBL206237 0.91 TOP2A (0.45) TOP2AHTR3ACEPT1ALDH1A1HPGD
SCHEMBL206155 0.80 DHODH (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ABCC1
SCHEMBL205413 0.77 DHODH (0.49) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL205522 0.73 CHRNB2 (0.51) ALDH1A1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL13687204 0.73 CHRNB2 (0.61) ALDH1A1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL205416 0.72 TOP2A (0.64) TOP2AHTR3ACEPT1ALDH1A1HPGD
SCHEMBL205302 0.72 PARP1 (0.58) TOP2AHTR3ACEPT1ALDH1A1HPGD
SCHEMBL20683501 0.71 CHRNB2 (0.53) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28926584 0.69 TOP2A (0.59) TOP2AHTR3ACEPT1ALDH1A1HPGD

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 TOP2A 70/4885HTR3A 2187/4885CEPT1 1657/4885

“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.