SCHEMBL697289

SCHEMBL697289

Cc1cccc(C(C)c2nccn2C(CC2CC2)OC(=O)OC(CC2CC2)n2ccnc2C(C)c2cccc(C)c2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GRIN2B Q13224 1/20 0.30
NPC1 O15118 1/20 0.30
CNR2 P34972 1/20 0.30
LDHA P00338 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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

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
SCHEMBL697290 0.93 TP53 (0.33) TP53GRIN2B
SCHEMBL697071 0.80 KDM4E (0.32) TP53GRIN2BMEN1KMT2ALMNA
SCHEMBL697072 0.76 KDM4E (0.33) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL697147 0.75 GPR119 (0.36) GRIN2BCNR2MEN1KMT2ALMNA
SCHEMBL12716983 0.75 JMJD6 (0.33) TP53GRIN2BLDHAMEN1KMT2A
SCHEMBL697567 0.73 SSTR4 (0.33) GRIN2BMEN1KMT2ALMNAMAPT
SCHEMBL698523 0.73 ADRA2C (0.41) TP53MEN1KMT2AMAPTTSHR
SCHEMBL696942 0.73 LDHA (0.38) TP53GRIN2BLDHAMEN1KMT2A
SCHEMBL697528 0.72 IDH1 (0.34) GRIN2BNPC1LDHAMEN1KMT2A
SCHEMBL696009 0.71 HTR2C (0.38) TP53LMNAMAPTPKMTSHR

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
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP claimed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 TP53 2394/4885GRIN2B 3622/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TP53 2394/4885GRIN2B 3622/4885NPC1 745/4885

“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.