SCHEMBL22829816

SCHEMBL22829816

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
TNKS O95271 1/20 0.77
TNKS2 Q9H2K2 1/20 0.77

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
SCHEMBL22829786 0.95 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL22829789 0.94 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL22829806 0.92 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL22829784 0.92 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL22829817 0.92 PARP1 (1.00) PARP1
SCHEMBL30331782 0.91 PARP1 (0.84) PARP1
SCHEMBL19914129 0.91 PARP1 (0.84) PARP1
SCHEMBL22829780 0.90 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL30293115 0.90 PARP1 (0.89) PARP1
SCHEMBL19569971 0.90 PARP1 (0.90) PARP1TNKSTNKS2

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 1/4885TNKS 54/4885TNKS2 101/4885
US-20200407374-A1 LOW AFFINITY POLY(AD-RIBOSE) POLYMERASE 1 DEPENDENT CYTOTOXIC AGENTS PARP1, PARP11, PARP2 PARP1 1/4885TNKS 54/4885TNKS2 101/4885

“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.