SCHEMBL3147409

SCHEMBL3147409

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
GSK3B P49841 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
MPO P05164 2/20 0.35
TPO P07202 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL3136154 0.88 ALDH1A1 (0.41) HTTGLANPSR1ALDH1A1ALOX15
SCHEMBL3142967 0.82 ALDH1A1 (0.41) HTTGLANPSR1ALDH1A1ALOX15
SCHEMBL3060533 0.80 PARP1 (0.43) HTTGLANPSR1ALDH1A1ALOX15
SCHEMBL2799129 0.80 ALDH1A1 (0.39) HTTALDH1A1ALOX15LMNAKMT2A
SCHEMBL2783035 0.79 ALDH1A1 (0.40) HTTALDH1A1ALOX15LMNAKMT2A
SCHEMBL3138956 0.79 PARP1 (0.44) HTTALDH1A1ALOX15LMNAKMT2A
SCHEMBL3130337 0.79 PARP1 (0.44) HTTALDH1A1ALOX15LMNAKMT2A
SCHEMBL2801077 0.78 ALDH1A1 (0.39) HTTGLANPSR1ALDH1A1ALOX15
SCHEMBL3135767 0.73 PARP1 (0.39) ALDH1A1ALOX15GSK3BPDE9APARP1
SCHEMBL3144768 0.71 PARP1 (0.42) ALDH1A1CCNB2CDK1CCNB1GSK3B

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 HTT 2878/4885GLA 3220/4885NPSR1 4175/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS HTT 2878/4885GLA 3220/4885NPSR1 4175/4885

“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.