SCHEMBL31607389

SCHEMBL31607389

CC(=O)Nc1cc(Br)cc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 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
SCHEMBL18661406 1.00 ROCK2 (0.46) ROCK2ALDH1A1MAOAMAOBHTT
SCHEMBL25351455 0.83 ROCK2 (0.47) ROCK2MAOAMAOBCA1CA2
SCHEMBL23739980 0.83 ROCK2 (0.47) ROCK2ALDH1A1MAOAMAOBNPC1
SCHEMBL31607337 0.82 JAK3 (0.37) ROCK2ESR1GRM5PTPRCPTPN2
SCHEMBL15732787 0.80 PIM1 (0.47) ROCK2HTT
SCHEMBL30088006 0.78 XDH (0.46) ROCK2ALDH1A1MAOAMAOBESR1
SCHEMBL28601707 0.78 XDH (0.46) ROCK2ALDH1A1MAOAMAOBESR1
SCHEMBL6091339 0.76 NR3C1 (0.57) ROCK2ALDH1A1MAPTGRM5BTK
SCHEMBL31456523 0.76 NR3C1 (0.57) ROCK2ALDH1A1MAPTGRM5BTK
SCHEMBL10211382 0.76 MAOA (0.43) MAOAMAOBESR1GRM5CYP2A6

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 ROCK2 2052/4885ALDH1A1 1101/4885MAOA 1014/4885

“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.

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