SCHEMBL452953

SCHEMBL452953

O=CCN(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.38
CYP1A2 P05177 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
EGFR P00533 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIN1 Q13526 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16193530 0.85 TSHR (0.36) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL15539193 0.82 MAPT (0.38) TSHRMAPTHTR2ACYP1A2FABP5
SCHEMBL13723797 0.80 KMT2A (0.35) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL25373589 0.79 ALDH1A1 (0.41) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL16242267 0.79 KMT2A (0.40) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL1639593 0.78 HTR2A (0.38) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL1198306 0.78 HTR2A (0.38) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL17454912 0.78 HTR2A (0.46) TSHRMAPTHTR2ACYP1A2FABP7
Hydrochloric Acid SCHEMBL31031926 0.77 HTR2A (0.44) TSHRMAPTHTR2ACYP1A2FABP7
SCHEMBL16194095 0.77 HDAC1 (0.38) TSHRMAPTHTR2ACYP1A2FABP7

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
US-9333217-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-09-24 US disclosed
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2015-05-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
EP-2614369-A2 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-07-17 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. (US) 2012-03-22 US disclosed
WO-2012034132-A2 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-03-15 WO disclosed
WO-2004005328-A2 PEPTIDOMIMETIC COMPOUND USEFUL AS INHIBITOR OF INTEGRINS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-15 WO 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-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM TSHR 4851/4885MAPT 2334/4885HTR2A 4739/4885
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 TSHR 3593/4885MAPT 4156/4885HTR2A 3693/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT TSHR 3496/4885MAPT 1361/4885HTR2A 2852/4885
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 TSHR 3385/4885MAPT 4075/4885HTR2A 3781/4885

“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.