SCHEMBL5633134

SCHEMBL5633134

CCCCN(CCCOc1nc2ccccc2nc1C(=O)O)c1ncc(CC)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
HIF1A Q16665 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
ELANE P08246 1/20 0.37
TP53 P04637 1/20 0.36
HRH4 Q9H3N8 1/20 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
SCHEMBL14422810 0.91 PPARD (0.41) TOP2AAGTR1AGTR2ALDH1A1MEN1
SCHEMBL14422811 0.86 TOP2A (0.38) TOP2AAGTR1AGTR2ALDH1A1MEN1
SCHEMBL14422809 0.84 AGTR1 (0.40) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL14422812 0.83 ACHE (0.37) TOP2A
SCHEMBL14422806 0.81 TOP2A (0.42) TOP2AAGTR1AGTR2ALDH1A1MAPT
SCHEMBL5632046 0.81 TOP2A (0.41) TOP2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL5632025 0.80 PPARD (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL5632759 0.78 PPARA (0.52) ELANE
SCHEMBL5632450 0.77 KDM4E (0.39) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL14422807 0.76 TOP2A (0.40) TOP2AALDH1A1MEN1KMT2AKDM4E

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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 WO 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD TOP2A 2061/4885AGTR1 730/4885AGTR2 819/4885

“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.