SCHEMBL5864100

SCHEMBL5864100

O=c1c2cc(N3CCNCC3)ccc2cnn1Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPKAPK2 P49137 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 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
SCHEMBL5864286 0.85 HTR2C (0.51) ALDH1A1MAPTCASP1CASP7HSD17B10
SCHEMBL5863900 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL5864447 0.79 LMNA (0.47) ALDH1A1LMNAMAPK1TDP1
SCHEMBL5864200 0.74 CFTR (0.48) ALDH1A1LMNAMAPK1KDM4EMAPT
SCHEMBL13217578 0.73 DPP4 (0.52) ALDH1A1LMNAMAPK1HTR3APIM1
SCHEMBL20786950 0.71 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL5864061 0.71 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL5864137 0.69 ITGB3 (0.52) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL5359364 0.69 DPP4 (0.49) ALDH1A1LMNAMAPK1
SCHEMBL2958745 0.69 DPP4 (0.68)

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 ALDH1A1 1345/4885LMNA 508/4885MAPK1 2506/4885

“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.