SCHEMBL3135767

SCHEMBL3135767

O=c1[nH]c2c(c3c(F)cccc13)Cc1c(CNC3CCOCC3)cccc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.39
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
DRD4 P21917 1/20 0.34
PDE9A O76083 6/20 0.33
PDE1C Q14123 1/20 0.33
PARP14 Q460N5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32

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 0.91 ALDH1A1 (0.41) PARP1ALDH1A1ALOX15OPRL1
SCHEMBL3144768 0.84 PARP1 (0.42) PARP1PDCD1CD274PDE9APARP14
SCHEMBL3138115 0.84 PARP1 (0.42) PARP1PDCD1CD274PDE9APARP14
SCHEMBL3136154 0.83 ALDH1A1 (0.41) PARP1ALDH1A1ALOX15OPRL1GSK3B
SCHEMBL3130337 0.74 PARP1 (0.44) PARP1ALDH1A1ALOX15GSK3BKCNH2
SCHEMBL3138956 0.74 PARP1 (0.44) PARP1ALDH1A1ALOX15GSK3BKCNH2
SCHEMBL3147409 0.73 HTT (0.44) PARP1PDE9AALDH1A1ALOX15GSK3B
SCHEMBL2783035 0.73 ALDH1A1 (0.40) PARP1ALDH1A1ALOX15GSK3B
SCHEMBL2801077 0.71 ALDH1A1 (0.39) PARP1ALDH1A1ALOX15
SCHEMBL3060533 0.71 PARP1 (0.43) PARP1ALDH1A1ALOX15

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 188/4885PDCD1 1171/4885CD274 2018/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS PARP1 188/4885PDCD1 1171/4885CD274 2018/4885

“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.