SCHEMBL2217344

SCHEMBL2217344

COc1cc(OC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL12513173 0.84 CYP3A4 (0.56) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL12435973 0.83 KMT2A (0.64) MEN1KMT2APOLBMAPTLMNA
SCHEMBL12435972 0.82 KMT2A (0.52) MEN1KMT2APOLBCYP2C19CYP2C9
SCHEMBL17507537 0.78 KMT2A (0.45) MEN1KMT2APOLBCYP2C19CYP2C9
SCHEMBL16675170 0.76 KMT2A (0.61) MEN1KMT2APOLBMAPTLMNA
SCHEMBL4763294 0.74 TMPRSS4 (0.57) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL6796229 0.73 MAPT (0.62) MEN1KMT2APOLBMAPTLMNA
SCHEMBL3529269 0.72 GPR35 (0.53) CYP1A2MAPTLMNAALDH1A1
SCHEMBL9970898 0.72 MEN1 (0.81) MEN1KMT2APOLBCYP2C9MAPT
SCHEMBL5773763 0.72 MAPT (0.67) MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
US-8710098-B2 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Chinese Academy of Medical Science (CN) 2014-04-29 US disclosed
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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 (1 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 MEN1 4747/4885KMT2A 964/4885POLB 1111/4885

“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.