SCHEMBL3189682

SCHEMBL3189682

O=C(O)c1nccnc1C(=O)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
RIPK1 Q13546 1/20 0.37
SCN4A P35499 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
SCN3A Q9NY46 2/20 0.34
SCN9A Q15858 1/20 0.34
DPP4 P27487 2/20 0.33
CTSC P53634 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL27965294 0.73 KDM4E (0.44) ELANEALDH1A1KDM4EGAA
SCHEMBL5174301 0.71 ELANE (0.43) ELANERIPK1SCN4AHTR2CHTR2B
SCHEMBL7067465 0.70 ALDH1A1 (0.43) ELANERIPK1SCN4AALDH1A1KDM4E
Quinoxaline SCHEMBL14719935 0.70 ELANE (0.51) ELANERIPK1SCN4AKDM4EHTR2C
SCHEMBL13475920 0.70 ALDH1A1 (0.43) ELANERIPK1SCN4AALDH1A1KDM4E
SCHEMBL30838459 0.70 ELANE (0.48) ELANE
Quinoxaline SCHEMBL14719936 0.70 ELANE (0.51) ELANERIPK1SCN4AKDM4EHTR2C
SCHEMBL30705003 0.70 ELANE (0.48) ELANERIPK1SCN4AALDH1A1GAA
SCHEMBL69939 0.70 KDM4E (0.54) ALDH1A1KDM4EASPHKDM8
SCHEMBL168919 0.69 ELANE (0.54) ELANERIPK1SCN4AKDM4EHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130980-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD. (CN) 2023-04-27 US disclosed
US-11485744-B2 High penetration prodrug compositions of antimicrobials and antimicrobial-related compounds TECHFIELDS PHARMA CO., LTD. (CN) 2022-11-01 US disclosed
US-20210206782-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD. (CN) 2021-07-08 US disclosed
US-10233197-B2 High penetration prodrug compositions of antimicrobials and antimicrobial-related compounds TECHFIELDS PHARMA CO., LTD. (CN) 2019-03-19 US disclosed
US-20180222921-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS PREMIER RESEARCH INTERNATIONAL, LLC 2018-08-09 US disclosed
US-9969751-B2 High penetration prodrug compositions of antimicrobials and antimicrobial-related compounds TECHFIELDS PHARMA CO., LTD. (CN) 2018-05-15 US disclosed
US-20130018029-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD (CN) 2013-01-17 US disclosed
US-20120157371-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS PREMIER RESEARCH INTERNATIONAL, LLC 2012-06-21 US disclosed
US-20100040548-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD (CN) 2010-02-18 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-20180222921-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HPGDS ELANE 556/4885RIPK1 4209/4885SCN4A 4325/4885
US-20210206782-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HAMP ELANE 458/4885RIPK1 4021/4885SCN4A 4226/4885
US-11485744-B2 High penetration prodrug compositions of antimicrobials and antimicrobial-related compounds SLC7A1, VIP, HPGDS ELANE 556/4885RIPK1 4209/4885SCN4A 4325/4885
US-20230130980-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HPGDS ELANE 556/4885RIPK1 4209/4885SCN4A 4325/4885
US-20130018029-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HAMP ELANE 458/4885RIPK1 4021/4885SCN4A 4226/4885
US-10233197-B2 High penetration prodrug compositions of antimicrobials and antimicrobial-related compounds SLC7A1, VIP, HAMP ELANE 458/4885RIPK1 4021/4885SCN4A 4226/4885
US-20100040548-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HAMP ELANE 458/4885RIPK1 4021/4885SCN4A 4226/4885
US-20120157371-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HPGDS ELANE 556/4885RIPK1 4209/4885SCN4A 4325/4885

“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.