SCHEMBL31607348

SCHEMBL31607348

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR3 P49019 2/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
TTR P02766 1/20 0.33
ABL1 P00519 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
SCHEMBL31607286 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ACYP3A4L3MBTL1CYP1A2
SCHEMBL31607334 0.82 ABL1 (0.36) ALDH1A1KMT2ACYP3A4L3MBTL1CYP1A2
SCHEMBL31474310 0.81 KMT2A (0.47) ALDH1A1KMT2AHCAR3POLBMAPT
SCHEMBL29215568 0.81 KMT2A (0.47) ALDH1A1KMT2AHCAR3POLBMAPT
SCHEMBL31607362 0.78 KMT2A (0.51) ALDH1A1KMT2AHCAR3MAPTTTR
SCHEMBL31607343 0.78 KMT2A (0.51) ALDH1A1KMT2AHCAR3MAPTTTR
SCHEMBL25380351 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ACYP3A4L3MBTL1CYP1A2
SCHEMBL30979300 0.76 L3MBTL1 (0.39) ALDH1A1KMT2ACYP3A4L3MBTL1CYP1A2
SCHEMBL31607308 0.76 NPSR1 (0.39) ALDH1A1KMT2ACYP2C19POLBMAPT
SCHEMBL31607350 0.75 TSHR (0.34) ALDH1A1KMT2AL3MBTL1CYP1A2CYP2C19

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 ALDH1A1 1101/4885KMT2A 961/4885CYP3A4 1409/4885

“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.