SCHEMBL31607313

SCHEMBL31607313

COC(=O)C(C)(C)Nc1c(Br)cc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERN1 O75460 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31607308 0.81 NPSR1 (0.39) NPSR1ABL1MEN1KMT2AHSP90AA1
SCHEMBL22175474 0.80 NPSR1 (0.38) NPSR1ABL1MEN1KMT2AHSP90AA1
SCHEMBL17200396 0.80 MAPT (0.46) NPSR1ABL1MEN1KMT2AMAPT
SCHEMBL17200450 0.77 NPSR1 (0.51) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL2512695 0.68 XDH (0.69) XDHALDH5A1ABATMEN1KMT2A
SCHEMBL31168304 0.67 XDH (0.53) XDHALDH5A1ABATMEN1KMT2A
SCHEMBL2511982 0.66 ALDH1A1 (0.59) XDHALDH5A1ABATMEN1KMT2A
SCHEMBL29832511 0.66 ABL1 (0.52) NPSR1ABL1MEN1KMT2AMAPT
SCHEMBL21808120 0.66 ABL1 (0.52) NPSR1ABL1MEN1KMT2AMAPT
SCHEMBL23123715 0.65 NPSR1 (0.60) NPSR1MEN1KMT2AMAPTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4613752-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-09-10 EP disclosed
US-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-08-28 US disclosed
CN-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 CN 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-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR PARP1, PARP11, PARP2 XDH 2727/4885ALDH5A1 1103/4885ABAT 1124/4885

“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.