SCHEMBL5632046

SCHEMBL5632046

CCCCN(CCCOc1nc2ccccc2nc1C(=O)O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK8 P45983 2/20 0.38
HTT P42858 2/20 0.38
HIF1A Q16665 1/20 0.38
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL5633134 0.81 TOP2A (0.42) TOP2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL5632025 0.80 PPARD (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL5632759 0.80 PPARA (0.52) ELANE
SCHEMBL5633651 0.78 LMNA (0.38) ALDH1A1KDM4EGAASMN1; SMN2HTT
SCHEMBL5633706 0.76 POLQ (0.48) LMNA
SCHEMBL4806424 0.76 CYP2D6 (0.50) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5702322 0.75 HDAC3 (0.41) ALDH1A1KDM4EGAAMAPK8ELANE
SCHEMBL5632004 0.74 HCAR3 (0.43) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL14422810 0.73 PPARD (0.41) TOP2AALDH1A1MEN1KMT2AMAPT
SCHEMBL5677763 0.72 KCNH2 (0.44) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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 2061/4885ALDH1A1 877/4885MEN1 4509/4885

“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.