SCHEMBL1787109

SCHEMBL1787109

COc1ccc(-c2scc(C(C)=O)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
ESR2 Q92731 1/20 0.42
OPRD1 P41143 1/20 0.41
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BACE1 P56817 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL15259145 0.84 ESR2 (0.42) ALDH1A1MAPK1KDM4EMAPTLMNA
SCHEMBL277239 0.82 AKR1C2 (0.44) NPC1RAB9A
SCHEMBL8404738 0.82 RAB9A (0.48) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL277402 0.81 ALAD (0.39) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL1784106 0.81 PTGS1 (0.48) HPGDMAPK1MAPTLMNAPTGS2
SCHEMBL277465 0.81 ABL1 (0.40) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL13720856 0.81 SLC2A1 (0.40) ALDH1A1MAPK1KDM4EMAPTESR2
SCHEMBL280393 0.80 MAPT (0.53) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL12607270 0.78 PTGS1 (0.39) HPGDMAPTPTGS2PKMSMN1; SMN2
SCHEMBL277174 0.78 AKR1C2 (0.41) HPGDMAPTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
EP-2246343-B1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-05-18 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 US disclosed
US-20140005413-A2 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2014-01-02 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-08 US disclosed
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-08 US disclosed
US-8420849-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-16 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
EP-2246343-A1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2010-11-03 EP disclosed
WO-2009107799-A1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF 日産化学工業株式会社 (JP) 2009-09-03 WO disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 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 (6 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885HPGD 750/4885CYP3A4 2288/4885
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF TST, SULT1E1, GRHPR ALDH1A1 102/4885HPGD 834/4885CYP3A4 27/4885
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885HPGD 1739/4885CYP3A4 372/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3206/4885HPGD 1694/4885CYP3A4 353/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885HPGD 1739/4885CYP3A4 372/4885
US-20140005413-A2 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF TST, SULT1E1, GRHPR ALDH1A1 102/4885HPGD 834/4885CYP3A4 27/4885

“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.