SCHEMBL6371278

SCHEMBL6371278

CCc1cc(-c2ccc(CN3CCC(N4CCCCC4)CC3)s2)c(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MBTD1 Q05BQ5 2/20 0.35
▸ L3MBTL3 Q96JM7 2/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 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
Hydrochloric Acid SCHEMBL2672933 0.99 VEGFA (0.38) VEGFAEGLN1OPRK1L3MBTL1ALDH1A1
SCHEMBL6371371 0.99 OPRK1 (0.39) VEGFAEGLN1OPRK1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2674723 0.98 OPRK1 (0.38) VEGFAEGLN1OPRK1L3MBTL1ALDH1A1
SCHEMBL6371157 0.90 KDM4E (0.40) OPRK1L3MBTL1ALDH1A1RECQLHRH3
Hydrochloric Acid SCHEMBL2674615 0.89 KDM4E (0.39) OPRK1L3MBTL1ALDH1A1RECQLHRH3
SCHEMBL6372062 0.89 CCNC (0.39) OPRK1L3MBTL1ALDH1A1RECQLCCNC
Hydrochloric Acid SCHEMBL2674323 0.88 CDC7 (0.38) OPRK1L3MBTL1ALDH1A1RECQLCCNC
SCHEMBL6372169 0.86 OPRK1 (0.38) OPRK1ALDH1A1CDC7ROCK1DBF4
Hydrochloric Acid SCHEMBL2674131 0.85 OPRK1 (0.38) OPRK1ALDH1A1CDC7ROCK1DBF4
SCHEMBL6372810 0.84 CDC7 (0.44) OPRK1CDC7ROCK1DBF4DDR1

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 8 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

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 VEGFA 1105/4885EGLN1 1200/4885OPRK1 1172/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 VEGFA 1105/4885EGLN1 1200/4885OPRK1 1172/4885

“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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