SCHEMBL3130337

SCHEMBL3130337

O=c1[nH]c2c(c3ccc(F)cc13)Cc1c(CNC3CCCC3)cccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
KCNH2 Q12809 4/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PABPC1 P11940 1/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3138956 0.96 PARP1 (0.44) PARP1ALDH1A1ALOX15KCNH2CCNB2
SCHEMBL3138115 0.91 PARP1 (0.42) PARP1ALDH1A1CCNB2CDK1CCNB1
SCHEMBL3144768 0.87 PARP1 (0.42) PARP1ALDH1A1CCNB2CDK1CCNB1
SCHEMBL3142967 0.83 ALDH1A1 (0.41) PARP1ALDH1A1ALOX15PABPC1HTT
SCHEMBL3136154 0.83 ALDH1A1 (0.41) PARP1ALDH1A1ALOX15CCNB2CDK1
SCHEMBL3060533 0.79 PARP1 (0.43) PARP1ALDH1A1ALOX15PABPC1HTT
SCHEMBL2799129 0.79 ALDH1A1 (0.39) PARP1ALDH1A1ALOX15PABPC1HTT
SCHEMBL2801077 0.79 ALDH1A1 (0.39) PARP1ALDH1A1ALOX15PABPC1HTT
SCHEMBL3147409 0.79 HTT (0.44) PARP1ALDH1A1ALOX15CCNB2CDK1
SCHEMBL2783035 0.78 ALDH1A1 (0.40) PARP1ALDH1A1ALOX15CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 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-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS PARP1 188/4885ALDH1A1 137/4885ALOX15 262/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS PARP1 188/4885ALDH1A1 137/4885ALOX15 262/4885

“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.