SCHEMBL5864222

SCHEMBL5864222

Cc1cc(Br)ccc1-n1c(C)nc2ccc(N3CCNCC3)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 5/20 0.55
▸ IDO2 Q6ZQW0 5/20 0.55
▸ IDO1 P14902 4/20 0.55
▸ MAPK14 Q16539 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HPD P32754 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ NCF1 P14598 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5863679 0.80 MAPK14 (0.47) TDO2IDO2IDO1MAPK14ALDH1A1
SCHEMBL5864107 0.78 ALDH1A1 (0.53) TDO2IDO2IDO1ALDH1A1MAPT
SCHEMBL5863341 0.74 LMNA (0.61) TDO2IDO2IDO1ALDH1A1MAPT
SCHEMBL17830805 0.74 TDO2 (0.79) TDO2IDO2IDO1
SCHEMBL17830815 0.73 TDO2 (0.63) TDO2IDO2IDO1MAPK14ALDH1A1
SCHEMBL5864124 0.71 HTR6 (0.54) TDO2IDO2IDO1ALDH1A1MAPT
SCHEMBL7057761 0.71 HTR3A (0.61) MAPTNCF1
SCHEMBL17830813 0.71 TDO2 (1.00) TDO2IDO2IDO1
SCHEMBL7171020 0.71 POLB (0.67) MAPTATMLMNAHPDHPGD
SCHEMBL29110444 0.70 MAPT (0.69) MAPTATMLMNAHPDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 — — US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 — — US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 — — US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 — — EP 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 (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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TDO2 2439/4885IDO2 2559/4885IDO1 2403/4885

“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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