SCHEMBL3136154

SCHEMBL3136154

O=c1[nH]c2c(c3cccc(F)c13)Cc1c(CNC3CCCC3)cccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 4/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 4/20 0.36
MPO P05164 2/20 0.35
TPO P07202 2/20 0.35
PABPC1 P11940 1/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL3142967 0.92 ALDH1A1 (0.41) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL3147409 0.88 HTT (0.44) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL3135767 0.83 PARP1 (0.39) ALDH1A1ALOX15PARP1OPRL1GSK3B
SCHEMBL3130337 0.83 PARP1 (0.44) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL3138956 0.83 PARP1 (0.44) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL2799129 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL3060533 0.80 PARP1 (0.43) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL2783035 0.79 ALDH1A1 (0.40) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL2801077 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15HTTLMNAKMT2A
SCHEMBL3144768 0.75 PARP1 (0.42) ALDH1A1PARP1KDM4EOPRL1CCNB2

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 ALDH1A1 137/4885ALOX15 262/4885HTT 2878/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS ALDH1A1 137/4885ALOX15 262/4885HTT 2878/4885

“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.