SCHEMBL10020214

SCHEMBL10020214

CN(C)CCCNC(=O)c1ccc(C(=O)NCCCN(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.79
THRA P10827 1/20 0.63
THRB P10828 1/20 0.63
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL2120449 0.93 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL8411545 0.93 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074575 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074576 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL3004623 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074578 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074586 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL9511746 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074627 0.92 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL5374884 0.92 HDAC1 (0.73) HPGDTHRATHRBALDH1A1KDM4E

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-11723363-B2 Polymers with antimicrobial functionalities INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2023-08-15 US disclosed
US-11058110-B2 Polymers with antimicrobial functionalities INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-07-13 US disclosed
US-10743537-B2 Monomer compositions with antimicrobial functionality INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-08-18 US disclosed
US-20200221695-A1 POLYMERS WITH ANTIMICROBIAL FUNCTIONALITIES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-07-16 US disclosed
US-10687530-B2 Hydrophilic polymers with antimicrobial functionalities INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 US disclosed
US-10653142-B2 Polymers with antimicrobial functionalities INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-05-19 US disclosed
US-20190174756-A1 POLYMERS WITH ANTIMICROBIAL FUNCTIONALITIES INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-06-13 US disclosed
US-20190174757-A1 MONOMER COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-06-13 US disclosed
US-8802759-B2 Binders for coatings, having high water vapor permeability BASF SE (DE) 2014-08-12 US disclosed
US-20120010338-A1 BINDERS FOR COATINGS, HAVING HIGH WATER VAPOR PERMEABILITY BASF SE (DE) 2012-01-12 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 (8 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-11723363-B2 Polymers with antimicrobial functionalities APEH, HDHD5, TERB1 HPGD 899/4885THRA 556/4885THRB 1841/4885
US-20190174756-A1 POLYMERS WITH ANTIMICROBIAL FUNCTIONALITIES APEH, HDHD5, TERB1 HPGD 899/4885THRA 556/4885THRB 1841/4885
US-11058110-B2 Polymers with antimicrobial functionalities APEH, HDHD5, TERB1 HPGD 899/4885THRA 556/4885THRB 1841/4885
US-10743537-B2 Monomer compositions with antimicrobial functionality NOD2, NOD1, ELANE HPGD 1169/4885THRA 3761/4885THRB 4347/4885
US-20200221695-A1 POLYMERS WITH ANTIMICROBIAL FUNCTIONALITIES APEH, HDHD5, TERB1 HPGD 899/4885THRA 556/4885THRB 1841/4885
US-10687530-B2 Hydrophilic polymers with antimicrobial functionalities PAM, TREH, GNE HPGD 529/4885THRA 152/4885THRB 720/4885
US-10653142-B2 Polymers with antimicrobial functionalities APEH, HDHD5, TERB1 HPGD 899/4885THRA 556/4885THRB 1841/4885
US-20190174757-A1 MONOMER COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY NOD2, NOD1, ELANE HPGD 1169/4885THRA 3761/4885THRB 4347/4885

“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.