SCHEMBL6372024

SCHEMBL6372024

CCc1cc(-c2ccc(CN3CCCC3)o2)c(C)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 6/20 0.38
▸ POLB P06746 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ RECQL P46063 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL6371216 0.91 HTT (0.41) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL6371224 0.85 CDC7 (0.38) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL6371206 0.84 CDC7 (0.39) ALDH1A1CYP1A2KMT2APOLB
Hydrochloric Acid SCHEMBL2672841 0.83 CDC7 (0.39) ALDH1A1CYP1A2KMT2APOLB
SCHEMBL2672706 0.80 CYP2A6 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2673527 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2673535 0.80 KDM4E (0.37) ALDH1A1KDM4EHSD17B10HPGDKMT2A
Cyclopentane SCHEMBL14142670 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL6371046 0.76 PARP1 (0.43) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL6372062 0.76 CCNC (0.39) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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 ALDH1A1 280/4885KDM4E 1262/4885HSD17B10 1737/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ALDH1A1 280/4885KDM4E 1262/4885HSD17B10 1737/4885

“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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