SCHEMBL6583850

SCHEMBL6583850

Ic1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
LTA4H P09960 1/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL14494721 0.93 ALDH1A1 (0.65) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL14578276 0.88 ALDH1A1 (0.69) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL4518005 0.86 LTA4H (0.66) KDM4ETSHRALDH1A1HTTSMN1; SMN2
SCHEMBL26149605 0.85 BACE1 (0.67) KDM4ETSHRALDH1A1HTTSMN1; SMN2
SCHEMBL24737235 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL259183 0.82 KDM4E (0.63) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL3657047 0.82 KDM4E (0.64) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL5323122 0.82 KDM4E (0.64) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL19560133 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL2463808 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
US-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-03-08 US disclosed
EP-3787669-A1 COMPOUNDS FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE The Trustees of Indiana University (US) 2021-03-10 EP disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 US disclosed
EP-2890693-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033448-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS RESPIVERT LIMTED (GB) 2014-03-06 WO disclosed
WO-2014033448-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS RESPIVERT LIMTED (GB) 2014-03-06 WO disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (7 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-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS SYK, FYN, MAPK1 KDM4E 1726/4885TSHR 2861/4885TP53 2957/4885
US-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL KDM4E 1600/4885TSHR 3081/4885TP53 2269/4885
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL KDM4E 1009/4885TSHR 3685/4885TP53 2486/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885

“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.