SCHEMBL696260

SCHEMBL696260

COc1cccc(Cn2ccnc2[C@@H](C)c2cccc(C)c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
LPO P22079 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.42
P2RX7 Q99572 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CMA1 P23946 1/20 0.40

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
SCHEMBL697382 1.00 TDP1 (0.47) TDP1LPOCYP1A2CYP2D6CYP2C19
SCHEMBL704400 0.92 TDP1 (0.46) TDP1LPOCYP1A2CYP2D6CYP2C19
SCHEMBL697649 0.89 CYP1A2 (0.54) TDP1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL697409 0.89 CYP1A2 (0.54) TDP1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL698162 0.88 TDP1 (0.45) TDP1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL698068 0.88 TDP1 (0.40) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL702850 0.87 KCNH2 (0.51) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL697350 0.86 TDP1 (0.41) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL695900 0.85 TDP1 (0.54) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL696289 0.85 TDP1 (0.54) TDP1CYP1A2CYP2D6CYP2C19LMNA

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 TDP1 2820/4885LPO 2602/4885CYP1A2 12/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885LPO 2602/4885CYP1A2 12/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885LPO 2602/4885CYP1A2 12/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885LPO 2602/4885CYP1A2 12/4885

“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.