SCHEMBL2270518

SCHEMBL2270518

O=Cc1cccc(OC(=O)Nc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
BCHE P06276 3/20 0.59
ACHE P22303 2/20 0.59
RAD51 Q06609 1/20 0.59
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FAAH O00519 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL29952313 1.00 KMT2A (0.64) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL10062253 0.91 CYP1A2 (0.62) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL12655119 0.85 KMT2A (0.78) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL6204732 0.83 RAD51 (0.79) KMT2ARAD51ALDH1A1MAPTGAA
SCHEMBL7973772 0.83 RAD51 (0.69) KMT2ABCHEACHERAD51CYP1A2
Phenyl Phenylcarbamate SCHEMBL272994 0.80 ALDH1A1 (0.76) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL3302167 0.80 KMT2A (0.69) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL31061553 0.80 KMT2A (0.69) KMT2ABCHEACHECYP1A2ALDH1A1
SCHEMBL20958113 0.79 SRC (0.56) KMT2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8048626 0.79 CYP1A2 (0.76) KMT2ABCHEACHERAD51CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 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 (3 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KMT2A 2593/4885BCHE 3323/4885ACHE 1053/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 KMT2A 2544/4885BCHE 3412/4885ACHE 1134/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KMT2A 2593/4885BCHE 3323/4885ACHE 1053/4885

“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.