SCHEMBL21643563

SCHEMBL21643563

O=C(CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
POLB P06746 2/20 0.58
MGLL Q99685 1/20 0.57
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
RAB9A P51151 1/20 0.57
PHGDH O43175 1/20 0.56
KMT2A Q03164 5/20 0.55
MTOR P42345 1/20 0.54
IRAK1 P51617 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
MAPT P10636 4/20 0.53
KCNH2 Q12809 1/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL29803051 1.00 KDM4E (0.60) KDM4EPOLBMGLLALDH1A1SMN1; SMN2
SCHEMBL21643400 0.93 KDM4E (0.63) KDM4EPOLBMGLLALDH1A1TP53
SCHEMBL29803050 0.93 KDM4E (0.63) KDM4EPOLBMGLLALDH1A1TP53
Hydrochloric Acid SCHEMBL7934860 0.92 ALDH1A1 (0.64) KDM4EPOLBMGLLALDH1A1TP53
SCHEMBL7389110 0.82 POLB (0.57) KDM4EPOLBTP53KMT2AKCNH2
SCHEMBL7651381 0.82 HTR1A (0.55) KDM4EPOLBALDH1A1TP53KMT2A
SCHEMBL4008558 0.81 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8067932 0.80 KMT2A (0.62) POLBALDH1A1KMT2AKCNH2MEN1
SCHEMBL6055571 0.80 KMT2A (0.62) POLBALDH1A1KMT2AKCNH2MEN1
SCHEMBL21643443 0.80 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-03 US disclosed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20220363692-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
EP-4037702-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF The Johns Hopkins University (US) 2022-08-10 EP disclosed
CN-114746103-A Rapafucin derivative compounds and methods of use thereof 约翰霍普金斯大学 2022-07-12 CN disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-20220363692-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR KDM4E 3663/4885POLB 4714/4885MGLL 3593/4885
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, CHP1, FKBP8 KDM4E 4000/4885POLB 4525/4885MGLL 3631/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 KDM4E 3832/4885POLB 4749/4885MGLL 3526/4885

“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.