SCHEMBL697071

SCHEMBL697071

Cc1cccc(C(C)c2nccn2C(OC(=O)OC(C2CCC2)n2ccnc2C(C)c2cccc(C)c2C)C2CCC2)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.31
IDH1 O75874 2/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 2/20 0.30
GRIN2B Q13224 1/20 0.30
GRM5 P41594 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 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
SCHEMBL697072 0.93 KDM4E (0.33) KDM4ERAB9AHPGDIDH1CYP1A2
SCHEMBL697289 0.80 TP53 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL697290 0.76 TP53 (0.33) GRIN2BGRM5TP53
SCHEMBL697473 0.74 ATM (0.36) HPGDGAAPOLBTSHR
SCHEMBL698523 0.74 ADRA2C (0.41) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL696280 0.73 ADRA2A (0.35) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3534000 0.72 CYP19A1 (0.39) KDM4EHPGDIDH1GAAPOLB
SCHEMBL696009 0.72 HTR2C (0.38) KDM4ERAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL698544 0.72 JMJD6 (0.37) RAB9AIDH1MEN1ALDH1A1KMT2A
SCHEMBL697287 0.72 NPC1 (0.35) KDM4ERAB9AMEN1ALDH1A1KMT2A

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 11 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 claimed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US claimed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDM4E 574/4885RAB9A 777/4885HPGD 2124/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KDM4E 574/4885RAB9A 777/4885HPGD 2124/4885

“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.