SCHEMBL697556

SCHEMBL697556

CC(=O)c1c(C)c(C)cc(C)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 2/20 0.36
DRD3 P35462 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CLK2 P49760 1/20 0.31
CSNK1G1 Q9HCP0 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
SCHEMBL3735175 0.84 CYP3A4 (0.47) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL27753892 0.78 DRD3 (0.42) CYP3A4MEN1KMT2AHPGDDRD3
SCHEMBL7953582 0.75 CYP3A4 (0.44) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL5211767 0.74 CYP3A4 (0.40) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL1259455 0.74 LDHA (0.34) CYP3A4HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL2810235 0.74 CYP3A4 (0.44) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL2046049 0.73 CYP3A4 (0.52) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL8102442 0.72 LDHA (0.33) CYP3A4CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1666399 0.71 SMN1; SMN2 (0.41) CYP3A4MEN1KMT2AHPGDTHRB
SCHEMBL3125411 0.70 MEN1 (0.41) CYP3A4MEN1KMT2AHPGDTHRB

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 CYP3A4 3/4885MEN1 493/4885KMT2A 945/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885MEN1 493/4885KMT2A 945/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885MEN1 493/4885KMT2A 945/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885MEN1 493/4885KMT2A 945/4885

“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.