SCHEMBL698909

SCHEMBL698909

Cc1ccc(C)c(CCOC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4A O75164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
GRIN2B Q13224 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 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
SCHEMBL3525398 0.90 CHRM5 (0.36) KDM4EALDH1A1MAPTNPSR1KDM4A
SCHEMBL3532613 0.87 ALOX5 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL698934 0.87 CHRM2 (0.33) SMN1; SMN2LMNAPOLBGRIN2B
SCHEMBL697358 0.86 LMNA (0.33) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL698859 0.85 MEN1 (0.34) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL698827 0.85 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL699100 0.85 KMT2A (0.33) LMNAPOLBKMT2A
SCHEMBL703068 0.85 ALDH1A1 (0.33) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL698585 0.84 KDM4A (0.36) KDM4EALDH1A1MAPTNPSR1KDM4A
SCHEMBL697258 0.84 MAPK1 (0.38) KDM4EALDH1A1MAPTCYP1A2CYP3A4

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 KDM4E 574/4885ALDH1A1 617/4885MAPT 316/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KDM4E 574/4885ALDH1A1 617/4885MAPT 316/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KDM4E 574/4885ALDH1A1 617/4885MAPT 316/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KDM4E 574/4885ALDH1A1 617/4885MAPT 316/4885

“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.