SCHEMBL5864061

SCHEMBL5864061

O=c1c2cc(N3CCNCC3)ccc2cnn1CC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CYP1A2 P05177 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
TNK2 Q07912 2/20 0.40
TSHR P16473 2/20 0.39
GUSB P08236 1/20 0.38
ABL1 P00519 1/20 0.36
CDK4 P11802 8/20 0.36
CCND1 P24385 8/20 0.36
FGFR1 P11362 5/20 0.36
FGFR2 P21802 5/20 0.36
FGFR4 P22455 5/20 0.36
FGFR3 P22607 5/20 0.36
CCNA2 P20248 5/20 0.36

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
SCHEMBL5863449 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5864145 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTSHR
SCHEMBL5864286 0.74 HTR2C (0.51) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL5863900 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL5864100 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL24861134 0.67 CRBN (0.53) ALDH1A1HTTABL1CDK4CCND1
SCHEMBL31672239 0.67 CRBN (0.53) ALDH1A1HTTABL1CDK4CCND1
SCHEMBL21333743 0.66 MAPT (0.50) ALDH1A1MAPTHTTCDK4CCND1
SCHEMBL24861331 0.65 CRBN (0.41) ABL1CDK4CCND1FGFR1FGFR2
SCHEMBL14966121 0.64 BRD4 (0.46) ALDH1A1KDM4EHSD17B10MAPT

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 1345/4885KDM4E 2536/4885HSD17B10 345/4885

“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.