SCHEMBL31032801

SCHEMBL31032801

[2H]C([2H])([2H])c1nc(C(=O)NC)ccc1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.43
▸ PARP2 Q9UGN5 6/20 0.43
▸ PARP6 Q2NL67 3/20 0.43
▸ PARP3 Q9Y6F1 3/20 0.43
▸ USP28 Q96RU2 3/20 0.41
▸ USP25 Q9UHP3 3/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ CHEK1 O14757 6/20 0.39
▸ TNKS O95271 1/20 0.38
▸ CSF1R P07333 1/20 0.37

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
SCHEMBL30413985 0.94 USP28 (0.39) PARP1PARP2PARP6PARP3USP28
SCHEMBL29394098 0.92 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
SCHEMBL22912735 0.92 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL27202730 0.91 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL29396466 0.91 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL25236649 0.91 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL30413282 0.91 PARP1 (0.48) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL30218612 0.87 PARP1 (0.41) PARP1PARP2PARP6PARP3USP28
Hydrochloric Acid SCHEMBL30218629 0.87 PARP1 (0.41) PARP1PARP2PARP6PARP3USP28
SCHEMBL22912708 0.83 PARP1 (0.49) PARP1PARP2PARP6PARP3USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 — — US disclosed
WO-2024178127-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 — — WO 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-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 PARP1 1/4885PARP2 4/4885PARP6 10/4885

“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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