SCHEMBL697335

SCHEMBL697335

CCCCCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL698638 0.97 BCHE (0.38) MAPK1TSHRTP53CYP3A4BCHE
SCHEMBL3528053 0.93 BCHE (0.35) MAPK1KDM4ETSHRTP53CYP3A4
SCHEMBL697702 0.92 MAPK1 (0.43) MAPK1TSHRTP53CYP3A4LMNA
SCHEMBL697545 0.92 ALDH1A1 (0.33) MAPK1KDM4ETSHRTP53CYP3A4
SCHEMBL714296 0.91 MAPK1 (0.36) MAPK1KDM4ETP53LMNABCHE
SCHEMBL698906 0.91 RARB (0.33) MAPK1KDM4ETSHRTP53CYP3A4
SCHEMBL699093 0.90 ALDH1A1 (0.40) MAPK1KDM4ETSHRTP53CYP3A4
SCHEMBL699055 0.90 ALDH1A1 (0.34) MAPK1KDM4ETP53LMNAALDH1A1
SCHEMBL697568 0.89 MEN1 (0.34) MAPK1KDM4ETSHRTP53CYP3A4
SCHEMBL697258 0.88 MAPK1 (0.38) MAPK1KDM4ETSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885KDM4E 574/4885KDM4A 836/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885KDM4E 574/4885KDM4A 836/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885KDM4E 574/4885KDM4A 836/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK1 3695/4885KDM4E 574/4885KDM4A 836/4885

“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.