SCHEMBL3563577

SCHEMBL3563577

O=C1Cc2cc(Br)ccc2C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 17/20 1.00
CMA1 P23946 1/20 0.62
AHR P35869 1/20 0.62
CASP3 P42574 1/20 0.56
CASP7 P55210 1/20 0.56
CASP9 P55211 1/20 0.56
CASP6 P55212 1/20 0.56
CASP8 Q14790 1/20 0.56
MAP3K14 Q99558 1/20 0.56
PARP10 Q53GL7 1/20 0.54
PARP11 Q9NR21 1/20 0.54
METAP1 P53582 1/20 0.51

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
SCHEMBL30015036 0.89 TDP2 (0.80) TDP2CMA1AHRCASP3CASP7
SCHEMBL22904167 0.89 TDP2 (0.80) TDP2CMA1AHRCASP3CASP7
SCHEMBL18010791 0.82 TDP2 (1.00) TDP2
SCHEMBL18010794 0.81 TDP2 (1.00) TDP2CMA1AHR
SCHEMBL3575982 0.78 TDP2 (0.74) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3563253 0.78 TDP2 (0.78) TDP2CASP3CASP7CASP9CASP6
SCHEMBL9920103 0.78 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3573428 0.78 TDP2 (0.78) TDP2CMA1AHRCASP3CASP7
SCHEMBL3575463 0.78 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL25826030 0.78 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140631-A1 EXO VII INHIBITOR AND QUINOLONE ANTIBIOTIC COMBINATION USEFUL FOR TREATING BACTERIAL INFECTIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-06-30 WO disclosed
CN-113234079-B Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2022-02-01 CN disclosed
CN-113234079-A Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2021-08-10 CN disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-25 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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 (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-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 TDP2 3605/4885CMA1 4722/4885AHR 3374/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 TDP2 511/4885CMA1 3659/4885AHR 1357/4885
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC RNASEH1, DNASE1L3, DNASE1 TDP2 660/4885CMA1 35/4885AHR 4790/4885

“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.