SCHEMBL1862285

SCHEMBL1862285

COC(=O)c1c(C)cc(F)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ACHE P22303 1/20 0.44
HPGD P15428 7/20 0.43
GAA P10253 4/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 7/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36

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
SCHEMBL21276588 0.86 HPGD (0.34) HPGDGAALMNAALDH1A1KDM4E
SCHEMBL30527359 0.85 HPGD (0.41) CYP3A4HPGDGAALMNAPOLB
SCHEMBL10073228 0.82 CYP3A4 (0.55) CYP3A4ACHEHPGDLMNAPOLB
SCHEMBL26078000 0.81 CYP3A4 (0.39) CYP3A4ACHELMNAALDH1A1KDM4E
SCHEMBL23088256 0.79 CYP3A4 (0.42) CYP3A4ACHEHPGDGAALMNA
SCHEMBL2019636 0.79 HPGD (0.38) CYP3A4HPGDGAALMNAPOLB
SCHEMBL21932854 0.77 HPGD (0.49) CYP3A4HPGDGAALMNAALDH1A1
SCHEMBL17124306 0.77 NOTUM (0.35) HPGDLMNAALDH1A1KDM4ECYP1A2
SCHEMBL1860753 0.75 CYP3A4 (0.47) CYP3A4ACHEHPGDLMNAPOLB
SCHEMBL18298326 0.75 CYP3A4 (0.47) CYP3A4ACHEHPGDGAALMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773064-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-03 US disclosed
US-20220363636-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-11-17 US disclosed
US-11420940-B2 4-carboxamido-isoindolinone derivatives as selective parp-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-08-23 US disclosed
US-20200407314-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2020-12-31 US disclosed
US-10800739-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-10-13 US disclosed
EP-2912032-B1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2020-05-27 EP disclosed
US-20190330151-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2019-10-31 US disclosed
EP-2454236-B1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-09-04 EP disclosed
US-10385018-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-08-20 US disclosed
US-20150274662-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-01 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 WO disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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 (9 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-11773064-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors PARP1, PARP2, PARP12 CYP3A4 2769/4885ACHE 4072/4885HPGD 585/4885
US-11420940-B2 4-carboxamido-isoindolinone derivatives as selective parp-1 inhibitors PARP1, PARP2, PARP11 CYP3A4 2263/4885ACHE 3980/4885HPGD 1019/4885
US-20190330151-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP11 CYP3A4 2263/4885ACHE 3980/4885HPGD 1019/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 CYP3A4 1095/4885ACHE 1263/4885HPGD 567/4885
US-10800739-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors PARP1, PARP2, PARP11 CYP3A4 2263/4885ACHE 3980/4885HPGD 1019/4885
US-10385018-B2 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors PARP1, PARP2, PARP11 CYP3A4 2258/4885ACHE 3296/4885HPGD 313/4885
US-20150274662-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP11 CYP3A4 2258/4885ACHE 3296/4885HPGD 313/4885
US-20220363636-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP12 CYP3A4 2747/4885ACHE 4057/4885HPGD 574/4885
US-20200407314-A1 4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS PARP1, PARP2, PARP11 CYP3A4 2244/4885ACHE 3961/4885HPGD 997/4885

“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.