SCHEMBL31607342

SCHEMBL31607342

O=C1CCCc2ccc(O)c([N+](=O)[O-])c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
THRB P10828 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PRKCI P41743 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 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
SCHEMBL4686035 0.90 GPR35 (0.41) POLBKMT2AGPR35TP53CYP3A4
SCHEMBL7428171 0.79 KMT2A (0.39) POLBKMT2AGPR35HPGDHIF1A
SCHEMBL12992926 0.78 ALDH1A1 (0.42) POLBKMT2ACYP3A4HPGDMAPT
SCHEMBL6999412 0.78 GRIN2D (0.44) POLBKMT2AGPR35TP53HPGD
SCHEMBL7432592 0.76 KMT2A (0.39) POLBKMT2AGPR35HPGDHIF1A
SCHEMBL6996430 0.75 BCL2L1 (0.44) POLBKMT2AGPR35TP53HPGD
SCHEMBL6300272 0.74 MAOA (0.40) GPR35TP53CYP3A4HPGDTSHR
SCHEMBL31607330 0.74 KMT2A (0.41) POLBKMT2ATHRBMAOAMAOB
SCHEMBL21939810 0.73 MAOA (0.41) POLBTP53HPGDTSHRSMN1; SMN2
SCHEMBL30607084 0.73 MAOA (0.41) POLBTP53HPGDTSHRSMN1; SMN2

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 POLB 31/4885KMT2A 961/4885GPR35 3024/4885

“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.