SCHEMBL700685

SCHEMBL700685

CCc1cccc(C(C)(O)c2nccn2Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
OPRD1 P41143 1/20 0.40
LMNA P02545 2/20 0.40
ACSS2 Q9NR19 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL697931 0.88 KMT2A (0.40) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL697630 0.85 KMT2A (0.40) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL712197 0.84 OPRD1 (0.49) KMT2AMEN1HSP90AA1OPRD1ACSS2
SCHEMBL4912536 0.82 KMT2A (0.49) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL27753890 0.79 KMT2A (0.38) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL697295 0.79 KMT2A (0.39) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL1347394 0.78 KMT2A (0.54) KMT2AMEN1HSP90AA1LMNATDP1
SCHEMBL11345241 0.77 MEN1 (0.43) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL696963 0.77 MEN1 (0.41) KMT2AMEN1HSP90AA1OPRD1LMNA
SCHEMBL11915914 0.76 KCNH2 (0.50) KMT2AMEN1HSP90AA1OPRD1TDP1

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 11 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN 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 945/4885MEN1 493/4885HSP90AA1 1213/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885HSP90AA1 1213/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885HSP90AA1 1213/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885HSP90AA1 1213/4885

“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.