SCHEMBL697750

SCHEMBL697750

CC(c1cccc(Cl)c1)c1nccn1COC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
FPR2 P25090 2/20 0.36
ADRA1D P25100 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2B6 P20813 1/20 0.34
PDE1B Q01064 1/20 0.34
BRD4 O60885 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL698625 0.88 MEN1 (0.37) NPC1KMT2ABRD4ALDH1A1SMN1; SMN2
SCHEMBL698829 0.87 NPC1 (0.39) CYP2C19CYP2D6NPC1CYP1A2KMT2A
SCHEMBL27845586 0.85 ADRA1D (0.36) CYP2C19CYP2D6ADRA1DCYP1A2KMT2A
SCHEMBL1573126 0.85 ALDH1A1 (0.40) FPR2NPC1BRD4ALDH1A1
Ethane SCHEMBL27845734 0.85 ADRA1D (0.36) CYP2C19CYP2D6ADRA1DCYP1A2KMT2A
SCHEMBL697333 0.80 KMT2A (0.36) FPR2NPC1KMT2AMAPTALDH1A1
SCHEMBL697282 0.78 P2RX7 (0.40) KMT2AMAPTALDH1A1
SCHEMBL3528743 0.78 ALDH1A1 (0.35) CYP2C19CYP2D6TSHRFPR2ADRA1D
SCHEMBL698624 0.78 ALDH1A1 (0.35) CYP2C19CYP2D6TSHRFPR2ADRA1D
SCHEMBL697152 0.78 ALDH1A1 (0.35) CYP2C19CYP2D6TSHRFPR2ADRA1D

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 10 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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 POLB 3099/4885CYP2C19 16/4885CYP2D6 15/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885CYP2C19 16/4885CYP2D6 15/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885CYP2C19 16/4885CYP2D6 15/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 POLB 3099/4885CYP2C19 16/4885CYP2D6 15/4885

“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.