SCHEMBL22852663

SCHEMBL22852663

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNC1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.86
▸ PARP3 Q9Y6F1 1/20 0.86

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
SCHEMBL29434944 0.93 PARP1 (1.00) PARP1PARP3
SCHEMBL864319 0.93 PARP1 (1.00) PARP1PARP3
SCHEMBL30293115 0.90 PARP1 (0.89) PARP1PARP3
SCHEMBL19914129 0.89 PARP1 (0.84) PARP1PARP3
SCHEMBL30331782 0.89 PARP1 (0.84) PARP1PARP3
SCHEMBL29463415 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL30205023 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL524782 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL19569971 0.88 PARP1 (0.90) PARP1PARP3
Hydrochloric Acid SCHEMBL23113141 0.88 PARP1 (0.98) PARP1PARP3

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-11542282-B2 Low affinity poly(AD-ribose) polymerase 1 dependent cytotoxic agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-01-03 — — US disclosed
US-20200407374-A1 LOW AFFINITY POLY(AD-RIBOSE) POLYMERASE 1 DEPENDENT CYTOTOXIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-31 — — US 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 (2 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-11542282-B2 Low affinity poly(AD-ribose) polymerase 1 dependent cytotoxic agents PARP1, PARP11, PARP2 PARP1 1/4885PARP3 6/4885
US-20200407374-A1 LOW AFFINITY POLY(AD-RIBOSE) POLYMERASE 1 DEPENDENT CYTOTOXIC AGENTS PARP1, PARP11, PARP2 PARP1 1/4885PARP3 6/4885

“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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