SCHEMBL98627

SCHEMBL98627

[CH2]CC(=O)N(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
POLQ O75417 1/20 0.50
MEN1 O00255 3/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11477632 0.84 KMT2A (0.51) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL1760632 0.83 KMT2A (0.58) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL7825103 0.82 ALDH1A1 (0.46) KMT2AMEN1NPSR1POLBKDM4E
SCHEMBL9887 0.81 KMT2A (0.56) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL5601309 0.81 KMT2A (0.56) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL7830345 0.81 KMT2A (0.56) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL7830528 0.80 DRD4 (0.46) KMT2APOLQMEN1CYP3A4POLB
SCHEMBL7497684 0.80 KMT2A (0.47) KMT2APOLQMEN1CYP3A4CYP2C9
SCHEMBL95584 0.80 HSD17B1 (0.51) KDM4EALDH1A1
SCHEMBL307215 0.79 KMT2A (0.54) KMT2APOLQMEN1CYP3A4CYP2C9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077963-A1 2-Nitro-5-(4-trifluoromethyl-phenoxy)-benzyl derivatives, process for their preparation, and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP claimed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 EP disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed
EP-0077963-A1 2-Nitro-5-(4-trifluoromethyl-phenoxy)-benzyl derivatives, process for their preparation, and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP disclosed
EP-0077963-A1 2-Nitro-5-(4-trifluoromethyl-phenoxy)-benzyl derivatives, process for their preparation, and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP 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-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI KMT2A 4592/4885POLQ 4013/4885MEN1 924/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885POLQ 4565/4885MEN1 3912/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI KMT2A 4592/4885POLQ 4013/4885MEN1 924/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI KMT2A 4592/4885POLQ 4013/4885MEN1 924/4885

“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.