SCHEMBL176047

SCHEMBL176047

NC(=S)NCc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.47
LSS P48449 1/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL14715270 0.84 CA9 (0.56) CA9ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL525331 0.80 IDO1 (0.62) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL17178075 0.79 CA9 (0.54) CA9ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL10310272 0.79 ALDH1A1 (0.47) CA9ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14715269 0.79 CA9 (0.54) CA9ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL6929919 0.79 RECQL (0.62) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL133802 0.78 ALOX12 (0.68) CA9ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL22365688 0.78 KEAP1 (0.56) CA9ALDH1A1LMNASMN1; SMN2PKM
Iodide SCHEMBL20524285 0.78 RECQL (0.61) ALDH1A1SMN1; SMN2MAPTGAAHSD17B10
SCHEMBL525353 0.77 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
CN-101466712-A Thioxanthine derivatives and their use as inhibitors of mpo ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed
CN-1019393-B Substituted N-[(4-piperidingl] alkyl] bicyclic condensed oxazol and thiazolaminer JANSSEN PHARMACEUTICA NV (BE) 1992-12-09 CN disclosed
CN-86102349-A Preparation N-[(4-piperidyl) alkyl] the bicyclic condensed  azoles that replaces and the method for thiazole amine 1986-11-19 CN 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 (4 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB CA9 1678/4885ALDH1A1 234/4885LMNA 4675/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CA9 3061/4885ALDH1A1 174/4885LMNA 4765/4885
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE CA9 627/4885ALDH1A1 1822/4885LMNA 1932/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX CA9 2195/4885ALDH1A1 309/4885LMNA 1000/4885

“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.