SCHEMBL16038677

SCHEMBL16038677

O=C(Nc1ccccc1Nc1ccccc1)c1sc(-c2ccccn2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 5/20 0.49
PPARG P37231 3/20 0.49
NCOA2 Q15596 3/20 0.49
NCOA1 Q15788 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
NCOA3 Q9Y6Q9 2/20 0.49
APOBEC3G Q9HC16 1/20 0.49
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
ADORA2B P29275 1/20 0.45

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
SCHEMBL976371 0.81 CDC7 (0.68) KDM4EALDH1A1KMT2AHPGDAPOBEC3G
SCHEMBL16039727 0.78 KDM4E (0.68) KDM4EALDH1A1KMT2AAPOBEC3GRAB9A
SCHEMBL14148621 0.74 ALDH1A1 (0.72) KDM4EALDH1A1KMT2APPARGNCOA2
SCHEMBL16037743 0.70 LMNA (0.74) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL11463722 0.70 IDO1 (0.57) KDM4EALDH1A1KMT2AAPOBEC3GRAB9A
SCHEMBL12335736 0.70 KMT2A (0.67) KDM4EALDH1A1KMT2APPARGNCOA2
SCHEMBL14148651 0.69 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL544437 0.69 KDM4E (0.52) KDM4EALDH1A1KMT2AAPOBEC3GRAB9A
SCHEMBL12076664 0.68 MEN1 (0.58) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL12335590 0.68 KMT2A (0.64) KDM4EALDH1A1KMT2APPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US claimed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US claimed
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 US claimed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
WO-2014160197-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 WO disclosed
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 US disclosed
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 US disclosed
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 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 (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-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS TTR, PPARG, PPARD KDM4E 4514/4885ALDH1A1 145/4885KMT2A 4254/4885
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS TTR, PPARG, PPARD KDM4E 4514/4885ALDH1A1 145/4885KMT2A 4254/4885

“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.