SCHEMBL5863449

SCHEMBL5863449

Nc1ccc2cnn(CC3CCCCO3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.45
PDE8B O95263 12/20 0.43
CTSD P07339 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PIK3CA P42336 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5864145 0.84 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ENPC1RAB9A
SCHEMBL14966121 0.82 BRD4 (0.46) ALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL5864061 0.81 ALDH1A1 (0.45) ALDH1A1CASP1CASP7HSD17B10TSHR
SCHEMBL14965798 0.80 BRD4 (0.43) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL21333743 0.72 MAPT (0.50) ALDH1A1NPC1RAB9A
SCHEMBL30285372 0.72 MAPT (0.50) ALDH1A1NPC1RAB9A
SCHEMBL5420281 0.72 PDE8B (0.49) PDE8B
SCHEMBL6068365 0.70 PDE8B (0.45) ALDH1A1CASP1CASP7HSD17B10PDE8B
SCHEMBL9941564 0.70 PDE8B (0.43) TSHRPDE8BKDM4E
SCHEMBL14966264 0.70 KDM4E (0.44) ALDH1A1HSD17B10KDM4ENPC1RAB9A

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 1345/4885CASP1 2722/4885CASP7 2786/4885

“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.