SCHEMBL698443

SCHEMBL698443

COc1ccc(C(C)(O)c2ncc[nH]2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
TYK2 P29597 2/20 0.34
JAK2 O60674 1/20 0.34
HPGDS O60760 1/20 0.34
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34
TLK2 Q86UE8 2/20 0.34
MMP12 P39900 1/20 0.33
DYRK1A Q13627 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL697855 0.90 CYP19A1 (0.40) CYP19A1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL7914818 0.83 CYP19A1 (0.51) CYP19A1MDM2MAPK1ALDH1A1CYP1A2
SCHEMBL697512 0.83 CYP19A1 (0.51) CYP19A1MDM2MAPK1ALDH1A1CYP1A2
SCHEMBL27733474 0.79 CYP19A1 (0.47) CYP19A1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL6299558 0.77 CYP19A1 (0.46) CYP19A1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL698375 0.76 CYP19A1 (0.40) CYP19A1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL11670141 0.76 CYP19A1 (0.41) CYP19A1BRAFHDAC1MAPK1ALDH1A1
SCHEMBL697816 0.75 CYP19A1 (0.51) CYP19A1MDM2MAPK1ALDH1A1CYP1A2
SCHEMBL696482 0.75 CYP19A1 (0.44) CYP19A1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL11671090 0.74 CYP19A1 (0.43) CYP19A1ADRA2AADRA2CADRA1DADRA1A

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 1985/4885ADRA2A 456/4885ADRA2C 144/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2A 456/4885ADRA2C 144/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2A 456/4885ADRA2C 144/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2A 456/4885ADRA2C 144/4885

“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.