SCHEMBL698401

SCHEMBL698401

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
FPR2 P25090 1/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.31
FFAR1 O14842 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.30
NLRP3 Q96P20 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1B P35368 2/20 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
SCHEMBL698609 0.92 KMT2A (0.34) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL699093 0.89 ALDH1A1 (0.40) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL697019 0.88 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL697994 0.88 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL698612 0.87 KMT2A (0.34) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL698613 0.87 KMT2A (0.34) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL697702 0.87 MAPK1 (0.43) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL696535 0.86 KMT2A (0.34) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL697796 0.85 TP53 (0.34) KMT2AMAPK1MEN1ALDH1A1MAPT
SCHEMBL698638 0.85 BCHE (0.38) MAPK1ALDH1A1MAPTTP53TSHR

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 KMT2A 945/4885MAPK1 3695/4885MEN1 493/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPK1 3695/4885MEN1 493/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPK1 3695/4885MEN1 493/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPK1 3695/4885MEN1 493/4885

“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.