SCHEMBL698609

SCHEMBL698609

CCC(CC)COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 3/20 0.33
NLRP3 Q96P20 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
ADRA1D P25100 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL698401 0.92 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL698612 0.91 KMT2A (0.34) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL698613 0.91 KMT2A (0.34) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL699093 0.91 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL696535 0.90 KMT2A (0.34) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL697019 0.90 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL697994 0.90 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL697702 0.87 MAPK1 (0.43) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL698760 0.86 FFAR1 (0.35) KMT2AMEN1LMNAMAPK14CYP1A2
SCHEMBL697870 0.85 OPRD1 (0.36) KMT2AMEN1LMNAMAPK14CYP1A2

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 6 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-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 (2 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-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885ALDH1A1 617/4885

“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.