SCHEMBL7583074

SCHEMBL7583074

O=C1NCCc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.87
TRPM2 O94759 1/20 0.87
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.48
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
ABCB1 P08183 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45

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
SCHEMBL7587804 0.94 TRPM2 (0.93) PARP1TRPM2KDM4ESMN1; SMN2HRH3
SCHEMBL214027 0.93 TRPM2 (1.00) PARP1TRPM2KDM4EHRH3MEN1
SCHEMBL29478301 0.93 TRPM2 (1.00) PARP1TRPM2KDM4EHRH3MEN1
SCHEMBL5074084 0.87 PARP1 (0.89) PARP1TRPM2KDM4EHRH3MEN1
SCHEMBL5076323 0.81 PARP1 (0.66) PARP1TRPM2KDM4EMEN1ALDH1A1
SCHEMBL9447499 0.81 ABCB1 (0.74) PARP1TRPM2SMN1; SMN2TSHRABCB1
SCHEMBL9447382 0.81 ABCB1 (0.74) PARP1TRPM2SMN1; SMN2TSHRABCB1
SCHEMBL7583746 0.81 ABCB1 (0.74) PARP1TRPM2SMN1; SMN2TSHRABCB1
SCHEMBL7582536 0.79 PARP1 (0.62) PARP1TRPM2PARP10PARP11
SCHEMBL9196870 0.79 PARP1 (0.66) PARP1TRPM2PARP10PARP11

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-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
US-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 US disclosed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP 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 (1 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-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885TRPM2 4208/4885KDM4E 1347/4885

“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.