SCHEMBL834540

SCHEMBL834540

CN1Cc2cccc(C(N)=O)c2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 1.00
PARP2 Q9UGN5 9/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58

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
SCHEMBL835757 0.85 PARP1 (0.74) PARP1PARP2HTTLMNAPOLB
SCHEMBL19903083 0.81 PARP1 (0.68) PARP1PARP2HTTLMNAPOLB
SCHEMBL1862798 0.78 PARP1 (1.00) PARP1PARP2HTTLMNA
SCHEMBL12714874 0.78 PARP1 (0.63) PARP1PARP2HTTLMNAPOLB
SCHEMBL834344 0.77 PARP1 (1.00) PARP1PARP2HTTLMNA
SCHEMBL1867231 0.77 PARP1 (0.76) PARP1PARP2HTTLMNA
SCHEMBL375101 0.76 PARP1 (0.61) PARP1PARP2HTTLMNA
SCHEMBL1355339 0.76 PARP1 (0.61) PARP1PARP2HTTLMNA
SCHEMBL6123445 0.76 PARP1 (0.71) PARP1PARP2HTTLMNA
SCHEMBL24733343 0.76 PARP1 (1.00) PARP1PARP2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242302-A1 COMBINATION THERAPY FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-12-21 WO disclosed
US-9789083-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9655881-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-9518042-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-13 US disclosed
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-8143284-B2 2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide; allergic encephalitis, arthritis, cardiac and kidney toxicities from doxorubicin-based and platinum-based antineoplastic agents, carcinoma of the breast, central nervous system inflammation, cervical carcinoma, ABBOTT LABORATORIES (US) 2012-03-27 US disclosed
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBVIE INC. 2008-05-08 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 (3 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-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 PARP1 3714/4885PARP2 4851/4885HTT 247/4885
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 PARP1 4215/4885PARP2 4816/4885HTT 1113/4885
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885HTT 729/4885

“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.