SCHEMBL698041

SCHEMBL698041

Cc1cccc([C@H](C)c2nccn2C(=O)OCCC(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
GALR3 O60755 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
ADRA1D P25100 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL697568 0.94 MEN1 (0.34) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL698906 0.93 RARB (0.33) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL697181 0.92 ALOX5 (0.33) CYP19A1LMNAPOLB
SCHEMBL697183 0.92 ALOX5 (0.33) CYP19A1LMNAPOLB
SCHEMBL697182 0.92 ALOX5 (0.33) CYP19A1LMNAPOLB
SCHEMBL697702 0.90 MAPK1 (0.43) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL699093 0.90 ALDH1A1 (0.40) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL698859 0.89 MEN1 (0.34) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL703068 0.89 ALDH1A1 (0.33) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL697994 0.89 TSHR (0.40) LMNAMEN1KMT2APOLBALDH1A1

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 10 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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 CYP19A1 1985/4885LMNA 3030/4885MEN1 493/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885LMNA 3030/4885MEN1 493/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885LMNA 3030/4885MEN1 493/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885LMNA 3030/4885MEN1 493/4885

“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.