SCHEMBL463664

SCHEMBL463664

CCOC(=O)C(=O)N/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 6/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 4/20 0.43
THRB P10828 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL438297 0.90 MAPT (0.48) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL463556 0.85 MAPT (0.52) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL28338764 0.84 MAPT (0.51) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL463192 0.84 MAPT (0.50) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL9093727 0.82 L3MBTL1 (0.61) MAPTL3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL9704448 0.76 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1KDM4E
SCHEMBL9704444 0.76 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1KDM4E
SCHEMBL15468805 0.76 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL13731522 0.76 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL13731520 0.76 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1GAA

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885L3MBTL1 3666/4885KMT2A 751/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885L3MBTL1 3666/4885KMT2A 751/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885L3MBTL1 3666/4885KMT2A 751/4885

“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.