SCHEMBL4399809

SCHEMBL4399809

N=C(NO)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 2/20 0.55
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 4/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.54
GSK3B P49841 1/20 0.50
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
MAPT P10636 9/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL14174283 0.89 F2 (0.59) HDAC6HDAC8ALDH1A1KDM4EALOX15
SCHEMBL25801604 0.85 HDAC6 (0.62) HDAC6HDAC8ALDH1A1KDM4EALOX15
SCHEMBL4404636 0.84 HDAC6 (0.61) HDAC6HDAC8ALDH1A1KDM4EALOX15
SCHEMBL2462688 0.79 F2 (0.44) HDAC6HDAC8F2PRSS1PRSS2
SCHEMBL14880168 0.79 HDAC6 (0.82) HDAC6HDAC8ALDH1A1KDM4EALOX15
SCHEMBL26474835 0.78 F2 (0.78) HDAC6HDAC8ALDH1A1KDM4EALOX15
SCHEMBL4402275 0.78 ALDH1A1 (0.59) HDAC6ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL14160411 0.77 F2 (0.50) HDAC6HDAC8ALDH1A1F2PRSS1
SCHEMBL3456824 0.77 HRH3 (0.57) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4903474 0.77 PTGS2 (0.48) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
CN-118265453-A Protein aggregation inhibiting compounds for plant disease control 马克斯·普朗克科学促进学会 2024-06-28 CN disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-2888256-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
WO-2014031928-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 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 (2 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-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP HDAC6 2055/4885HDAC8 4497/4885ALDH1A1 4261/4885
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 HDAC6 617/4885HDAC8 108/4885ALDH1A1 546/4885

“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.