SCHEMBL697072

SCHEMBL697072

Cc1cccc(C(C)c2nccn2C(OC(=O)O)C2CCC2)c1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.31
BRD4 O60885 1/20 0.30
IDH1 O75874 2/20 0.30
MAPK14 Q16539 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL697071 0.93 KDM4E (0.32) KDM4ERAB9AHPGDIDH1MEN1
SCHEMBL697290 0.81 TP53 (0.33)
SCHEMBL697289 0.76 TP53 (0.33) MEN1ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL697473 0.74 ATM (0.36) HPGDGAA
SCHEMBL698523 0.73 ADRA2C (0.41) KDM4EBRD4MEN1ALDH1A1CYP1A2
SCHEMBL698416 0.73 CYP26A1 (0.34) BRD4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL697679 0.73 CYP26A1 (0.34) BRD4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1573151 0.73 CYP26A1 (0.34) BRD4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL696280 0.72 ADRA2A (0.35) MEN1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL697288 0.72 NPC1 (0.34) 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 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 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
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.