SCHEMBL5435852

SCHEMBL5435852

CCOC(=O)C(O)=Cc1ccnc(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
AKT1 P31749 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT5B P51692 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5435846 1.00 KDM4E (0.38) KDM4ERXFP1ALDH1A1LMNAHPGD
Potassium Ion SCHEMBL2476667 0.92 KDM4E (0.37) KDM4ERXFP1ALDH1A1LMNAHPGD
SCHEMBL4281214 0.85 CYP1A2 (0.39) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL4281222 0.85 CYP1A2 (0.39) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL4281219 0.85 CYP1A2 (0.39) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL5439596 0.85 FBP1 (0.33) ALDH1A1
SCHEMBL5439591 0.85 FBP1 (0.33) ALDH1A1
SCHEMBL5439602 0.85 FBP1 (0.33) ALDH1A1
SCHEMBL1654086 0.82 KDM4E (0.42) KDM4ERXFP1ALDH1A1LMNAMEN1
SCHEMBL5571713 0.81 KDM4E (0.41) KDM4ERXFP1ALDH1A1LMNAMEN1

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
EP-1787991-B2 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2020-06-24 EP disclosed
US-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2018-05-31 US disclosed
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use TAKEDA PHARMACEUTICAL COMPAN6Y LIMITED (JP) 2007-12-20 US disclosed
EP-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 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 (2 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-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE PGA5, ATP6AP1, PPA1 KDM4E 686/4885RXFP1 4402/4885ALDH1A1 1988/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 KDM4E 686/4885RXFP1 4402/4885ALDH1A1 1988/4885

“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.