SCHEMBL697584

SCHEMBL697584

Cc1cccc([C@H](C)c2nccn2Cc2ccccc2OC(F)(F)F)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
ADRA2C P18825 1/20 0.39
P2RX7 Q99572 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
C5AR1 P21730 1/20 0.36
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HSD17B13 Q7Z5P4 3/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PDE2A O00408 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
SCHEMBL697166 0.87 TDP1 (0.51) TDP1ADRA2CP2RX7ALDH1A1MAPT
SCHEMBL697585 0.84 ADRA2C (0.53) TDP1ADRA2CP2RX7ALDH1A1KMT2A
SCHEMBL697472 0.84 ADRA2C (0.41) KCNH2TDP1ADRA2CP2RX7ALDH1A1
SCHEMBL698377 0.82 ADRA2C (0.44) KCNH2TDP1ADRA2CKMT2A
SCHEMBL699063 0.81 ADRA2C (0.42) KCNH2TDP1ADRA2CALDH1A1MAPT
SCHEMBL698465 0.81 ADRA2C (0.44) KCNH2TDP1ADRA2CALDH1A1MAPT
SCHEMBL702850 0.80 KCNH2 (0.51) KCNH2TDP1P2RX7CYP2D6
SCHEMBL697058 0.79 ADRA2C (0.40) KCNH2TDP1ADRA2CP2RX7ALDH1A1
SCHEMBL698285 0.78 P2RX7 (0.42) KCNH2TDP1ADRA2CP2RX7ALDH1A1
SCHEMBL702942 0.78 P2RX7 (0.44) KCNH2TDP1ADRA2CP2RX7ALDH1A1

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 KCNH2 277/4885TDP1 2820/4885ADRA2C 144/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885TDP1 2820/4885ADRA2C 144/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885TDP1 2820/4885ADRA2C 144/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885TDP1 2820/4885ADRA2C 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.