SCHEMBL3444475

SCHEMBL3444475

Cc1ccc2[nH]c3c(cc(-c4ccncc4)c(=O)n3C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PDE3B Q13370 4/20 0.41
▸ PDE3A Q14432 4/20 0.41
▸ HAVCR2 Q8TDQ0 1/20 0.40
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 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
Hydrochloric Acid SCHEMBL3445384 0.99 ACHE (0.45) ACHEALDH1A1KDM4EHPGDNPSR1
SCHEMBL3867849 0.87 KDM4E (0.50) ALDH1A1KDM4EHPGDNPSR1GABRA1
SCHEMBL3445171 0.86 MAP2K4 (0.49) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2383613 0.86 ALDH1A1 (0.41) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2383709 0.85 KDM4E (0.41) ACHEALDH1A1KDM4EHPGDPDE3B
SCHEMBL2382552 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHAVCR2HSD17B10
SCHEMBL2381110 0.85 MAPK1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6281112 0.85 KDM4E (0.41) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3443977 0.83 ACHE (0.48) ACHEALDH1A1KDM4EHPGDNPSR1
SCHEMBL5738768 0.83 KDM4E (0.37) ACHEALDH1A1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816368-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2010-10-19 — — US claimed
US-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-02-12 — — US claimed
US-7456193-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-11-25 — — US claimed
EP-1556380-B1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2006-04-12 — — EP claimed
US-20050222192-A1 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-10-06 — — US claimed
EP-1556380-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-07-27 — — EP claimed
WO-2004037821-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-05-06 — — WO claimed
US-7816368-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2010-10-19 — — US disclosed
US-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-02-12 — — US disclosed
US-7456193-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-11-25 — — US disclosed
EP-1556380-B1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2006-04-12 — — EP disclosed
US-20050222192-A1 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-10-06 — — US disclosed
EP-1556380-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-07-27 — — EP disclosed
WO-2004037821-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-05-06 — — 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-20050222192-A1 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics CBR3, PNPO, CBR1 ACHE 3818/4885ALDH1A1 631/4885KDM4E 2222/4885
US-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics PNPO, DPYD, PDXK ACHE 2298/4885ALDH1A1 838/4885KDM4E 2743/4885

“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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