SCHEMBL23303585

SCHEMBL23303585

O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2cccc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.56
▸ PARP2 Q9UGN5 2/20 0.56
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ USP2 O75604 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL29882230 1.00 PARP1 (0.56) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL23302805 0.93 PARP1 (0.62) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL29882629 0.93 PARP1 (0.62) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL29882174 0.88 PARP1 (0.53) PARP1PARP2MAPK1
SCHEMBL23302825 0.88 PARP1 (0.53) PARP1PARP2MAPK1
SCHEMBL23303546 0.87 PARP1 (0.50) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL29882275 0.87 PARP1 (0.50) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL23302575 0.87 PARP1 (0.50) PARP1PARP2MEN1KMT2AKDM4E
SCHEMBL23302519 0.87 PARP1 (0.56) PARP1PARP2MEN1KMT2AMAPK1
SCHEMBL23302763 0.87 PARP1 (0.54) PARP1PARP2MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 — — WO claimed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 — — US disclosed
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 — — CN disclosed
WO-2021086077-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE 충남대학교 산학협력단 2021-05-06 — — 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 (1 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-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885MEN1 3924/4885

“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.

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