SCHEMBL16552182

SCHEMBL16552182

CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(OCCCC(=O)O)c6)[nH]c5c4)nc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
PPARG P37231 1/20 0.59
PPARA Q07869 1/20 0.59
MEN1 O00255 1/20 0.56
SLCO2B1 O94956 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
BCL2L1 Q07817 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
HDAC3 O15379 7/20 0.56

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
SCHEMBL23191099 0.97 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL14091141 0.96 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933710 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL18883256 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
Bromide SCHEMBL25436047 0.91 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
Bromide SCHEMBL30522158 0.91 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933708 0.91 HDAC3 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL23191108 0.90 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL24299745 0.90 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933707 0.90 HDAC3 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1POLB

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-20230002329-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-01-05 US disclosed
WO-2021087084-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-05-06 WO disclosed
EP-3038637-B1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 SCRIPPS RESEARCH INST (US) 2019-01-16 EP disclosed
US-20180089049-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 SCRIPPS RESEARCH INST (US) 2018-03-29 US disclosed
US-20180089049-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 SCRIPPS RESEARCH INST (US) 2018-03-29 US disclosed
US-9795687-B2 Modularly assembled small molecules for the treatment of myotonic dystrophy type 1 THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 US disclosed
US-9795687-B2 Modularly assembled small molecules for the treatment of myotonic dystrophy type 1 THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 US disclosed
US-20160206753-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-07-21 US disclosed
US-20160206753-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-07-21 US disclosed
WO-2015031819-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-05 WO 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-20230002329-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS SNRPE, RPRD2, SNRPA ALDH1A1 2557/4885SMN1; SMN2 2837/4885KDM4E 3300/4885
US-20160206753-A1 MODULARLY ASSEMBLED SMALL MOLECULES FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 EMG1, HNRNPA1, SNRPE ALDH1A1 3723/4885SMN1; SMN2 4/4885KDM4E 2001/4885

“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.