SCHEMBL5167572

SCHEMBL5167572

CC(=O)OCc1ccc(-c2nc3cc(C)cc(C)n3c2N(C(C)=O)c2c(C)cccc2C)o1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6752184 0.79 RAB9A (0.34) KMT2ALMNA
SCHEMBL5169040 0.79 MEN1 (0.39) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL5167407 0.77 GAA (0.41) KMT2AMAPT
SCHEMBL5168145 0.74 TSHR (0.37) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5167399 0.74 TP53 (0.42) KMT2AALDH1A1MAPT
SCHEMBL5167547 0.73 NUDT1 (0.40) KMT2A
SCHEMBL6750634 0.72 PKM (0.43) ALDH1A1KDM4ELMNAMAPT
SCHEMBL5166568 0.71 LMNA (0.33) ALDH1A1PTGS1KDM4ELMNAMAPT
SCHEMBL5167192 0.69 CREBBP (0.35) KMT2AALDH1A1KDM4E
SCHEMBL5168043 0.67 RAB9A (0.35) ALDH1A1KDM4EHSD17B10LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 KMT2A 2977/4885ALDH1A1 3066/4885PTGS1 4/4885

“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.