SCHEMBL6371046

SCHEMBL6371046

CCc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)o2)c(C)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SIGMAR1 Q99720 7/20 0.39
▸ POLB P06746 1/20 0.38
▸ MBTD1 Q05BQ5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SFRP1 Q8N474 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PDE5A O76074 1/20 0.36

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
SCHEMBL6372340 0.99 PARP1 (0.44) PARP1MAPK1TP53SIGMAR1POLB
Hydrochloric Acid SCHEMBL14142470 0.99 PARP1 (0.42) PARP1MAPK1TP53SIGMAR1POLB
Hydrochloric Acid SCHEMBL14142261 0.98 PARP1 (0.44) PARP1MAPK1TP53SIGMAR1POLB
SCHEMBL6371030 0.94 L3MBTL1 (0.46) PARP1MAPK1TP53POLBMBTD1
Hydrochloric Acid SCHEMBL14142546 0.93 L3MBTL1 (0.45) PARP1MAPK1TP53POLBMBTD1
SCHEMBL6371975 0.92 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL14142483 0.91 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL11917228 0.81 KMT2A (0.38) POLBMEN1KMT2ATSHR
SCHEMBL6371797 0.79 GUSB (0.47) PARP1MAPK1TP53SIGMAR1POLB
Hydrochloric Acid SCHEMBL14142433 0.78 GUSB (0.46) PARP1MAPK1TP53SIGMAR1POLB

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-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 PARP1 1/4885MAPK1 1388/4885TP53 3222/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PARP1 1/4885MAPK1 1388/4885TP53 3222/4885

“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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