SCHEMBL152809

SCHEMBL152809

CCN(CC)CCCNC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CACNA2D1 P54289 3/20 0.35
GAA P10253 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL25565746 0.95 PAOX (0.36) PAOXALDH1A1NPC1RAB9AAPAF1
SCHEMBL23384019 0.93 PAOX (0.39) PAOXALDH1A1NPC1RAB9AAPAF1
SCHEMBL25569452 0.91 PAOX (0.38) PAOXALDH1A1NPC1RAB9AAPAF1
SCHEMBL19546118 0.91 PAOX (0.34) PAOXALDH1A1NPC1RAB9AAPAF1
SCHEMBL25566310 0.88 PAOX (0.35) PAOXALDH1A1SIGMAR1CACNA2D1HRH3
SCHEMBL21954706 0.87 HRH4 (0.33) HRH3
SCHEMBL10617953 0.87 CYP1A2 (0.41) PAOXALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL25075491 0.87 EPHX1 (0.33) PAOXALDH1A1HRH3
SCHEMBL12085574 0.86 PAOX (0.40) PAOXALDH1A1NPC1RAB9AAPAF1
SCHEMBL17766692 0.85 HRH4 (0.32) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN claimed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
WO-2023122759-A2 OXAZOLIDINONE LIPOSOME COMPOSITIONS AKAGERA MEDICINES, INC. (US) 2023-06-29 WO disclosed
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF UNIVERSITY OF KANSAS 2022-04-28 US disclosed
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 US disclosed
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN disclosed
WO-2019185025-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR 正大天晴药业集团股份有限公司 2019-10-03 WO disclosed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 EP disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498349-B2 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20080221046-A1 Macrolides With Anti-Inflammatory Activity GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-7301037-B2 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT, INC. (US) 2007-11-27 US disclosed
US-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT PHARMACEUTICALS, INC. (US) 2007-05-10 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-20080221046-A1 Macrolides With Anti-Inflammatory Activity IL5, IL2, IL1A PAOX 3727/4885ALDH1A1 3686/4885NPC1 815/4885
US-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor POLRMT, PCNA, SARS1 PAOX 3626/4885ALDH1A1 4719/4885NPC1 1997/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 PAOX 1325/4885ALDH1A1 3948/4885NPC1 1015/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 PAOX 2058/4885ALDH1A1 250/4885NPC1 3662/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR PAOX 1113/4885ALDH1A1 2444/4885NPC1 2867/4885
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS PAOX 4112/4885ALDH1A1 2740/4885NPC1 1366/4885
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG PAOX 1194/4885ALDH1A1 3295/4885NPC1 1753/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 PAOX 2540/4885ALDH1A1 287/4885NPC1 3149/4885

“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.