SCHEMBL1303756

SCHEMBL1303756

CC(=O)c1c(C)nn(-c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
FPR1 P21462 1/20 0.42
BRAF P15056 1/20 0.41
NR3C1 P04150 7/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL314751 0.87 SMN1; SMN2 (0.45) ATMMAPTPOLBTDP1L3MBTL1
SCHEMBL5904628 0.87 ATM (0.51) ATMFPR1BRAFNR3C1MAPT
SCHEMBL1303722 0.84 POLB (0.55) MAPTPOLB
SCHEMBL13938124 0.82 ATM (0.47) ATMFPR1BRAFNR3C1MAPT
SCHEMBL1302323 0.81 MAPT (0.50) CNR1CNR2MAPTPOLBTDP1
SCHEMBL1303088 0.81 POLB (0.40) NR3C1MAPTPOLBTDP1L3MBTL1
SCHEMBL10250947 0.81 RAB9A (0.47) ATMNR3C1MAPTPOLBTDP1
SCHEMBL11300411 0.81 PTGS2 (0.50) NR3C1CNR1MAPTPOLBTDP1
SCHEMBL9779069 0.80 CYP1A2 (0.56) MAPTPOLBTDP1CYP2C9
SCHEMBL1303442 0.77 CYP1A2 (0.56) MAPTPOLBTDP1L3MBTL1

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 11 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-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 ATM 1191/4885FPR1 82/4885BRAF 1148/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR ATM 1567/4885FPR1 321/4885BRAF 2320/4885
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator MPL, PDGFRA, THPO ATM 871/4885FPR1 45/4885BRAF 780/4885

“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.