SCHEMBL5863679

SCHEMBL5863679

Cc1cc(Br)ccc1-n1c(C)nc2ccc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
TDO2 P48775 3/20 0.45
IDO2 Q6ZQW0 3/20 0.45
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
HTR7 P34969 10/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HTR1A P08908 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5863914 0.85 MAPK14 (0.48) MAPK14
SCHEMBL5864222 0.80 TDO2 (0.55) MAPK14TDO2IDO2IDO1ALDH1A1
SCHEMBL5863458 0.78 HTR1A (0.52) ALDH1A1LMNAHTR7MAPTHTR1A
SCHEMBL5864107 0.71 ALDH1A1 (0.53) TDO2IDO2IDO1ALDH1A1LMNA
SCHEMBL7229377 0.68 MTR (0.45) LMNAHTR7HTR1A
SCHEMBL5863341 0.67 LMNA (0.61) TDO2IDO2IDO1ALDH1A1LMNA
SCHEMBL5863818 0.66 CCR2 (0.43) ALDH1A1HTR1A
SCHEMBL7238776 0.66 OPRM1 (0.41) HTR1A
SCHEMBL7237630 0.65 OGA (0.48) HTR2AHTR1A
SCHEMBL7236722 0.65 MTR (0.49) HTR7HTR1A

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 MAPK14 2679/4885TDO2 2439/4885IDO2 2559/4885

“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.