SCHEMBL699093

SCHEMBL699093

CCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.37
NLRP3 Q96P20 3/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
LPO P22079 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35

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
SCHEMBL697702 0.93 MAPK1 (0.43) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL698827 0.92 ALDH1A1 (0.35) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL697994 0.92 TSHR (0.40) ALDH1A1MAPTTP53NPC1HTT
SCHEMBL697019 0.92 TSHR (0.40) ALDH1A1MAPTTP53NPC1HTT
SCHEMBL698609 0.91 KMT2A (0.34) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL698613 0.91 KMT2A (0.34) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL698612 0.91 KMT2A (0.34) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL698638 0.91 BCHE (0.38) ALDH1A1MAPTTP53MAPK1CYP1A2
SCHEMBL699055 0.90 ALDH1A1 (0.34) ALDH1A1MAPTTP53NLRP3NPC1
SCHEMBL697335 0.90 MAPK1 (0.36) ALDH1A1TP53LMNAMAPK1KDM4E

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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 ALDH1A1 617/4885MAPT 316/4885TP53 2394/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TP53 2394/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TP53 2394/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TP53 2394/4885

“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.