SCHEMBL5709789

SCHEMBL5709789

CCc1cc(-c2ccc(CCN3CCCC3)s2)c(C)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ DBF4 Q9UBU7 5/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ HTR1D P28221 3/20 0.35
▸ HTR1B P28222 3/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL2672888 0.99 CDC7 (0.40) CDC7ROCK1DBF4HRH3ACKR3
SCHEMBL6372062 0.88 CCNC (0.39) CDC7ROCK1DBF4KDM4E
Hydrochloric Acid SCHEMBL2674323 0.87 CDC7 (0.38) CDC7ROCK1DBF4KDM4E
SCHEMBL6371157 0.87 KDM4E (0.40) CDC7ROCK1DBF4HRH3KDM4E
Hydrochloric Acid SCHEMBL2674615 0.86 KDM4E (0.39) CDC7ROCK1DBF4HRH3KDM4E
SCHEMBL6371303 0.86 ACKR3 (0.38) CDC7ROCK1DBF4ACKR3PARP1
SCHEMBL2674059 0.81 S1PR1 (0.34) S1PR1KDM4ESMN1; SMN2
SCHEMBL2672747 0.80 ACKR3 (0.35) ACKR3PARP1KDM4E
SCHEMBL6371333 0.80 OPRK1 (0.34) CDC7ROCK1DBF4PARP1S1PR1
Hydrochloric Acid SCHEMBL2673414 0.79 ACKR3 (0.35) ACKR3PARP1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885ROCK1 963/4885DBF4 3509/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885ROCK1 963/4885DBF4 3509/4885

“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.

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