SCHEMBL3445171

SCHEMBL3445171

Cc1ccc2[nH]c3c(cc(-c4cccnc4)c(=O)n3C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.49
▸ ACHE P22303 1/20 0.45
▸ PADI4 Q9UM07 2/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL3444475 0.86 ACHE (0.46) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3867849 0.86 KDM4E (0.50) PADI4ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL3445384 0.85 ACHE (0.45) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3443977 0.82 ACHE (0.48) ACHEALDH1A1KDM4EHPGDGAA
SCHEMBL2383613 0.82 ALDH1A1 (0.41) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2381110 0.81 MAPK1 (0.43) MAP2K4MAOBALDH1A1KDM4EHPGD
SCHEMBL2385245 0.81 MAOB (0.41) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2388234 0.80 BRD4 (0.38) MAPK14
SCHEMBL2383697 0.80 KDM4E (0.46) MAP2K4PADI4ALDH1A1KDM4EHPGD
SCHEMBL2381235 0.80 MAP2K4 (0.52) MAP2K4ALDH1A1KDM4EHPGDHSD17B10

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics PNPO, DPYD, PDXK MAP2K4 4204/4885ACHE 2298/4885PADI4 1747/4885

“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.

Send feedback