SCHEMBL31097505

SCHEMBL31097505

CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(F)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.38
▸ PARP2 Q9UGN5 12/20 0.37
▸ PARP6 Q2NL67 5/20 0.37
▸ PARP3 Q9Y6F1 4/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ TNKS O95271 3/20 0.36
▸ USP30 Q70CQ3 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
SCHEMBL31097522 0.89 GPR119 (0.36) BACE1USP30
SCHEMBL25321450 0.85 PARP1 (0.39) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL31514813 0.83 HDAC1 (0.45) PARP1PARP2PARP6PARP3BACE1
SCHEMBL31514777 0.83 HDAC1 (0.45) PARP1PARP2PARP6PARP3BACE1
SCHEMBL31514778 0.81 HDAC1 (0.45) PARP1PARP2PARP6PARP3BACE1
SCHEMBL30869214 0.80 SMARCA2 (0.47) PARP1BACE1USP30
SCHEMBL25093504 0.80 PARP1 (0.47) PARP1USP30
SCHEMBL22912768 0.78 BACE1 (0.53) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL29790202 0.78 BACE1 (0.53) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL15765542 0.76 SMN1; SMN2 (0.46) —

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
US-20250171418-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2025-05-29 — — US disclosed
EP-4460497-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-11-13 — — EP disclosed
CN-118574824-A PARP1 inhibitors and uses thereof 新特拉有限公司 2024-08-30 — — 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-20250171418-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PARP1 1/4885PARP2 5/4885PARP6 11/4885

“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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