SCHEMBL210600

SCHEMBL210600

O=Cc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.56
LTA4H P09960 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL29417693 1.00 KDM4E (0.62) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL7956523 0.93 ALDH1A1 (0.62) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL17296296 0.92 ALDH1A1 (0.68) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL29417804 0.89 LTA4H (0.61) KDM4EALDH1A1HTTLTA4HSMN1; SMN2
SCHEMBL1283353 0.89 LTA4H (0.61) KDM4EALDH1A1HTTLTA4HSMN1; SMN2
SCHEMBL22084060 0.88 KDM4E (0.57) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL29417616 0.87 BACE1 (0.62) KDM4ETSHRALDH1A1HTTLTA4H
SCHEMBL4965868 0.87 BACE1 (0.62) KDM4ETSHRALDH1A1HTTLTA4H
SCHEMBL14578276 0.85 ALDH1A1 (0.69) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL9080753 0.85 SMN1; SMN2 (0.50) 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 48 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
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 WO disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-4336374-A HYPOGLYCEMIC AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1982-06-22 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 (5 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-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-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-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
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 KDM4E 4221/4885TSHR 1206/4885TP53 4575/4885

“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.