Sugi Predict

Sugi Predict / Compounds / SCHEMBL853543

SCHEMBL853543

SCHEMBL853543

O=C1NC(c2ccccc2)=COc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.70
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ TDP2 O95551 2/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CASP6 P55212 2/20 0.38
▸ CASP8 Q14790 2/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FER P16591 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL854614 0.83 MAPT (1.00) MAPTTDP1GSK3BALDH1A1GAA
SCHEMBL9930336 0.83 MAPT (0.56) MAPTLMNAKDM4ETDP1GSK3B
SCHEMBL854525 0.81 MAPT (0.50) MAPTLMNAKDM4ETDP2ALDH1A1
SCHEMBL854623 0.81 MAPT (0.57) MAPTLMNAKDM4ETDP1GSK3B
SCHEMBL853160 0.81 MAPT (0.50) MAPTLMNAKDM4ETDP2ALDH1A1
SCHEMBL853265 0.80 MAPT (0.57) MAPTLMNATDP1GSK3BTDP2
SCHEMBL853976 0.80 MAPT (0.74) MAPTLMNAGSK3BCASP3ALDH1A1
SCHEMBL854835 0.78 MAPT (0.50) MAPTLMNAKDM4EGSK3BTDP2
SCHEMBL854594 0.78 CYP3A4 (0.51) MAPTLMNATDP1GSK3BTDP2
SCHEMBL6170504 0.76 MAPT (0.55) MAPTLMNAKDM4ETDP1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 — — EP disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 — — US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 — — US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 — — US disclosed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 — — US disclosed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 — — EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 — — 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 (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-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885LMNA 146/4885KDM4E 3176/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885LMNA 146/4885KDM4E 3176/4885

“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.