SCHEMBL1303442

SCHEMBL1303442

CC(=O)c1c(C)nn(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PAX8 Q06710 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
STAT1 P42224 1/20 0.43
MAPT P10636 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
THRB P10828 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
SCHEMBL1303088 0.83 POLB (0.40) CYP1A2CYP2C19ALDH1A1LMNARAB9A
SCHEMBL827126 0.83 CYP1A2 (0.48) CYP1A2CYP2C19ALDH1A1NPC1LMNA
SCHEMBL2398084 0.82 L3MBTL1 (0.50) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL1303891 0.82 CYP1A2 (0.44) CYP1A2CYP2C19ALDH1A1NPC1LMNA
SCHEMBL11300411 0.80 PTGS2 (0.50) ALDH1A1NPC1LMNAHTTRAB9A
SCHEMBL10250947 0.80 RAB9A (0.47) CYP1A2CYP2C19ALDH1A1NPC1HTT
SCHEMBL9779069 0.80 CYP1A2 (0.56) CYP1A2CYP2C19ALDH1A1NPC1LMNA
SCHEMBL23400138 0.79 ALDH1A1 (0.51) CYP1A2CYP2C19ALDH1A1NPC1LMNA
SCHEMBL314751 0.78 SMN1; SMN2 (0.45) CYP1A2CYP2C19ALDH1A1NPC1HTT
SCHEMBL3015820 0.77 L3MBTL1 (0.55) CYP1A2CYP2C19ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-8053453-B2 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-06 US disclosed
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-06 US disclosed
EP-2025671-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2009-02-18 EP disclosed
EP-1947101-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2008-07-23 EP disclosed
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
EP-1549618-A1 PYRAZOLONE COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2005-07-06 EP disclosed
WO-2004033433-A1 PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 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 (3 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-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, MPL, IL1RN CYP1A2 2323/4885CYP2C19 2192/4885ALDH1A1 3215/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR CYP1A2 1691/4885CYP2C19 1817/4885ALDH1A1 973/4885
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator MPL, PDGFRA, THPO CYP1A2 1016/4885CYP2C19 364/4885ALDH1A1 1338/4885

“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.