SCHEMBL698465

SCHEMBL698465

CCc1ccccc1Cn1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.44
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
BRD4 O60885 1/20 0.35
KCNH2 Q12809 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL697585 0.91 ADRA2C (0.53) ADRA2CKMT2ATDP1LMNAALDH1A1
SCHEMBL698377 0.87 ADRA2C (0.44) ADRA2CKMT2ATDP1LMNAHSP90AA1
SCHEMBL699063 0.85 ADRA2C (0.42) ADRA2CKMT2ATDP1ALDH1A1MAPT
SCHEMBL697166 0.85 TDP1 (0.51) ADRA2CKMT2ATDP1LMNAALDH1A1
SCHEMBL698574 0.84 KMT2A (0.50) ADRA2CKMT2ATDP1LMNAALDH1A1
SCHEMBL698793 0.84 KMT2A (0.50) ADRA2CKMT2ATDP1LMNAALDH1A1
SCHEMBL697472 0.84 ADRA2C (0.41) ADRA2CKMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL697526 0.84 CYP19A1 (0.41) ADRA2CKMT2ATDP1ALDH1A1MAPT
SCHEMBL696289 0.84 TDP1 (0.54) ADRA2CKMT2ATDP1LMNACYP2D6
SCHEMBL695900 0.84 TDP1 (0.54) ADRA2CKMT2ATDP1LMNACYP2D6

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 ADRA2C 144/4885KMT2A 945/4885TDP1 2820/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KMT2A 945/4885TDP1 2820/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KMT2A 945/4885TDP1 2820/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KMT2A 945/4885TDP1 2820/4885

“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.