SCHEMBL699180

SCHEMBL699180

Cc1cccc(C(C)(O)c2ncc[nH]2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
TAAR1 Q96RJ0 3/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MDM2 Q00987 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
F2RL1 P55085 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASR P41180 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL706070 0.87 CYP19A1 (0.48) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL1573354 0.85 TAAR1 (0.40) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL697435 0.84 CYP19A1 (0.46) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL698787 0.83 CYP19A1 (0.43) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL6299558 0.81 CYP19A1 (0.46) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL696761 0.81 TAAR1 (0.40) CYP19A1TAAR1GABRA1GABRB2F2RL1
SCHEMBL697724 0.81 TAAR1 (0.46) CYP19A1TAAR1GABRA1GABRB2F2RL1
SCHEMBL696368 0.80 TAAR1 (0.42) CYP19A1TAAR1ADRA2AADRA2CADRA1D
SCHEMBL697634 0.77 CYP19A1 (0.37) CYP19A1TAAR1MDM2F2RL1ALDH1A1
SCHEMBL698375 0.77 CYP19A1 (0.40) CYP19A1TAAR1ADRA2AADRA2CADRA1D

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 1985/4885TAAR1 2147/4885ADRA2A 456/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885ADRA2A 456/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885ADRA2A 456/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885ADRA2A 456/4885

“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.