SCHEMBL697913

SCHEMBL697913

COc1cc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)ccc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.40
PDE4A P27815 7/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CSF1R P07333 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL697835 0.88 MAPT (0.41) TDP1CSF1R
SCHEMBL698178 0.86 SLC22A12 (0.35) TDP1
SCHEMBL703828 0.86 MEN1 (0.42)
SCHEMBL697607 0.84 ALKBH1 (0.36) TDP1
SCHEMBL698141 0.84 KMT2A (0.38)
SCHEMBL697860 0.81 FFAR1 (0.35) BCL9CTNNB1
SCHEMBL697660 0.81 NPC1 (0.38) RECQL
SCHEMBL699122 0.80 FFAR1 (0.41)
SCHEMBL696627 0.80 GRIN2B (0.40) TDP1
SCHEMBL698816 0.80 SGMS2 (0.36)

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 PDE4B 575/4885PDE4A 726/4885PDE4C 741/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PDE4B 575/4885PDE4A 726/4885PDE4C 741/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PDE4B 575/4885PDE4A 726/4885PDE4C 741/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PDE4B 575/4885PDE4A 726/4885PDE4C 741/4885

“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.