SCHEMBL7587804

SCHEMBL7587804

O=C1NCCc2c(OCCCN3CCCCC3)cccc21

nearest known ligand 0.93

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.93
PARP1 P09874 1/20 0.93
HRH3 Q9Y5N1 8/20 0.58
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB1 P08183 2/20 0.46

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
SCHEMBL29478301 0.96 TRPM2 (1.00) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL214027 0.96 TRPM2 (1.00) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL7583074 0.94 PARP1 (0.87) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL5074084 0.91 PARP1 (0.89) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL10576365 0.82 PARP1 (0.65) TRPM2PARP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9196870 0.81 PARP1 (0.66) TRPM2PARP1
SCHEMBL5076323 0.81 PARP1 (0.66) TRPM2PARP1ALDH1A1KDM4EKMT2A
SCHEMBL7586205 0.80 PARP1 (0.65) TRPM2PARP1CYP2C19
SCHEMBL7583746 0.80 ABCB1 (0.74) TRPM2PARP1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL9447499 0.80 ABCB1 (0.74) TRPM2PARP1SMN1; SMN2CYP2D6CYP2C19

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 TRPM2 4208/4885PARP1 2/4885HRH3 1838/4885

“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.