SCHEMBL406358

SCHEMBL406358

CCOC(=O)Cc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL13400411 0.88 TSHR (0.49) MAPTTSHRCYP3A4PDGFRBFGFR1
SCHEMBL28941074 0.87 EGFR (0.51) MAPTPDGFRBFGFR1PDGFRAFLT1
SCHEMBL7641250 0.87 MAPT (0.56) MAPTTSHRCYP3A4LMNAMEN1
SCHEMBL7210732 0.87 PDGFRB (0.60) MAPTTSHRCYP3A4PDGFRBFGFR1
SCHEMBL406784 0.86 MEN1 (0.47) MAPTPDGFRBFGFR1PDGFRAFLT1
SCHEMBL10473975 0.86 MAPT (0.50) MAPTCYP3A4PDGFRBFGFR1PDGFRA
SCHEMBL29500906 0.86 MEN1 (0.47) MAPTPDGFRBFGFR1PDGFRAFLT1
SCHEMBL406584 0.86 KMT2A (0.53) MAPTTSHRPDGFRBFGFR1PDGFRA
SCHEMBL29848981 0.85 ALDH1A1 (0.52) MAPTCYP3A4PDGFRBFGFR1PDGFRA
SCHEMBL14334021 0.85 MAPT (0.56) MAPTCYP3A4PDGFRBFGFR1PDGFRA

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 2 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

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TSHR 82/4885CYP3A4 2376/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TSHR 82/4885CYP3A4 2376/4885

“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.