SCHEMBL1990599

SCHEMBL1990599

NC(=O)N(CCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL7139664 0.89 ADRA2C (0.51) ADRA2CHDAC3HDAC4HDAC1HDAC2
SCHEMBL5742511 0.84 ADRA2C (0.54) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL7791465 0.83 HDAC3 (0.51) ADRA2CHDAC3HDAC4HDAC1HDAC2
SCHEMBL28647892 0.83 ALDH1A1 (0.50) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL5682214 0.82 HTT (0.49) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL6261729 0.82 TP53 (0.58) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL20180510 0.82 TP53 (0.49) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL27559930 0.82 SMN1; SMN2 (0.48) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL10526462 0.81 ALDH1A1 (0.52) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL16278131 0.81 MLYCD (0.34) ADRA2CHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895526-B1 BRANCHED POLYAMINES FOR DELIVERY OF BIOLOGICALLY ACTIVE MATERIALS IBM (US) 2020-03-25 EP disclosed
EP-2516502-B1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO IBM (US) 2019-05-15 EP disclosed
CN-104769011-B Branched polyamines for delivery of bioactive materials 囯际商业机器公司 2017-04-19 CN disclosed
CN-104755534-B Low molecular weight branched polyamines for delivery of bioactive materials 囯际商业机器公司 2017-03-08 CN disclosed
US-9399044-B2 Antimicrobial cationic polyamines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-07-26 US disclosed
US-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-03 US disclosed
US-9109087-B2 Low molecular weight branched polyamines for delivery of biologically active materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-08-18 US disclosed
EP-2895526-A1 BRANCHED POLYAMINES FOR DELIVERY OF BIOLOGICALLY ACTIVE MATERIALS International Business Machines Corporation (US) 2015-07-22 EP disclosed
EP-2895527-A1 LOW MOLECULAR WEIGHT BRANCHED POLYAMINES FOR DELIVERY OF BIOLOGICALLY ACTIVE MATERIALS International Business Machines Corporation (US) 2015-07-22 EP disclosed
CN-104769011-A Branched polyamines for delivery of bioactive materials IBM 2015-07-08 CN disclosed
CN-102770477-A Biodegradable block polymers for drug delivery, and methods related thereto IBM 2012-11-07 CN disclosed
EP-2516502-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO International Business Machines Corporation (US) 2012-10-31 EP disclosed
US-20120231060-A1 ANTIMICROBIAL HYDROGELS, METHODS OF PREPARATION THEREOF, AND ARTICLES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2012-09-13 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
WO-2011078803-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-30 WO disclosed
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
CN-1455767-A Substituted phenylcyclohexane carboxylic acid amides and use thereof BAYER AG (DE) 2003-11-12 CN 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD ADRA2C 4004/4885HDAC3 1305/4885HDAC4 1184/4885
US-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES ARG1, PARG, ARG2 ADRA2C 3627/4885HDAC3 1399/4885HDAC4 611/4885
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO SAMM50, ADRM1, UFM1 ADRA2C 2756/4885HDAC3 3740/4885HDAC4 3608/4885
US-20120231060-A1 ANTIMICROBIAL HYDROGELS, METHODS OF PREPARATION THEREOF, AND ARTICLES THEREFROM CLTB, ITGAM, PICALM ADRA2C 3606/4885HDAC3 3089/4885HDAC4 3557/4885

“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.