SCHEMBL6371609

SCHEMBL6371609

CCc1cc(-c2ccc(CNC(=O)c3ccccn3)o2)c(C)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADORA2A P29274 7/20 0.40
▸ ADORA1 P30542 6/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADCY8 P40145 1/20 0.37
▸ ADCY1 Q08828 1/20 0.37

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
SCHEMBL2673206 0.85 ALDH1A1 (0.41) HPGDKMT2AALDH1A1NPC1RAB9A
SCHEMBL14142278 0.84 PTGS2 (0.37) TSHRHPGDMAPK1ADORA2AADORA1
SCHEMBL2673997 0.81 KDM4E (0.36) TSHRHPGDALDH1A1CYP1A2L3MBTL1
Cyclopentane SCHEMBL14142670 0.79 ALDH1A1 (0.34) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL2674239 0.79 TP53 (0.40) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL2673754 0.78 KMT2A (0.52) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL2673416 0.77 KDM4E (0.46) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL6371576 0.75 TP53 (0.42) HPGDMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6372683 0.75 LDHA (0.44) HPGDALDH1A1L3MBTL1HTTNPC1
Hydrochloric Acid SCHEMBL2673379 0.74 LDHA (0.43) HPGDALDH1A1L3MBTL1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 2825/4885HPGD 346/4885MAPK1 1388/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TSHR 2825/4885HPGD 346/4885MAPK1 1388/4885

“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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