SCHEMBL835757

SCHEMBL835757

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

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.74
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.57
ESR1 P03372 1/20 0.57
POLB P06746 1/20 0.57
NR4A1 P22736 1/20 0.57
APEX1 P27695 1/20 0.57
PTPN7 P35236 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
MCL1 Q07820 1/20 0.57
ESR2 Q92731 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALOX15 P16050 1/20 0.56
PARP2 Q9UGN5 6/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL834540 0.85 PARP1 (1.00) PARP1HTTPOLBESR2PARP2
SCHEMBL19903083 0.83 PARP1 (0.68) PARP1HTTKDM4EESR1POLB
SCHEMBL4728317 0.78 POLB (0.73) PARP1HTTKDM4EESR1POLB
SCHEMBL1355339 0.77 PARP1 (0.61) PARP1HTTHSD17B10TDP1ALOX15
SCHEMBL1865315 0.77 HTT (0.86) PARP1HTTKDM4EMCL1HSD17B10
SCHEMBL20214403 0.76 HTT (0.58) PARP1HTTKDM4EESR1POLB
SCHEMBL833951 0.76 PARP1 (0.78) PARP1HTTKDM4EESR1POLB
SCHEMBL12714874 0.75 PARP1 (0.63) PARP1HTTPOLBMCL1PARP2
SCHEMBL29802830 0.75 PARP1 (0.81) PARP1HTTALOX15PARP2LMNA
SCHEMBL1863347 0.75 HTT (0.71) PARP1HTTALOX15PARP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 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 (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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR PARP1 4225/4885HTT 150/4885KDM4E 2226/4885
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS PARP1, PARP11, PARP2 PARP1 1/4885HTT 729/4885KDM4E 3727/4885

“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.