SCHEMBL697435

SCHEMBL697435

CC(O)(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
P2RX7 Q99572 8/20 0.38
PARP1 P09874 1/20 0.35
NOTUM Q6P988 2/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 1/20 0.33
CCR4 P51679 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL706070 0.86 CYP19A1 (0.48) CYP19A1TAAR1P2RX7MDM2ADRA2A
SCHEMBL697775 0.85 TAAR1 (0.44) CYP19A1TAAR1PARP1HSD17B10
SCHEMBL699180 0.84 CYP19A1 (0.47) CYP19A1TAAR1MDM2SMN1; SMN2ADRA2A
SCHEMBL696829 0.84 TAAR1 (0.44) CYP19A1TAAR1P2RX7PARP1MDM2
SCHEMBL6299558 0.80 CYP19A1 (0.46) CYP19A1TAAR1SMN1; SMN2CCR4ADRA2A
SCHEMBL696761 0.80 TAAR1 (0.40) CYP19A1TAAR1PARP1
SCHEMBL698787 0.79 CYP19A1 (0.43) CYP19A1TAAR1P2RX7MDM2SMN1; SMN2
SCHEMBL697917 0.77 CYP19A1 (0.38) CYP19A1TAAR1MDM2
SCHEMBL1573181 0.77 CYP19A1 (0.40) CYP19A1TAAR1MDM2
SCHEMBL697634 0.76 CYP19A1 (0.37) CYP19A1TAAR1MDM2SMN1; SMN2

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 12 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN 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 2147/4885P2RX7 671/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885P2RX7 671/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885P2RX7 671/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885P2RX7 671/4885

“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.