SCHEMBL314751

SCHEMBL314751

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP26A1 O43174 1/20 0.42
POLB P06746 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PDE4D Q08499 2/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1303756 0.87 ATM (0.50) POLBTDP1L3MBTL1CYP2C9MAPT
SCHEMBL10250947 0.82 RAB9A (0.47) POLBTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL11300411 0.82 PTGS2 (0.50) SMN1; SMN2POLBTDP1KDM4ENPC1
SCHEMBL1303088 0.82 POLB (0.40) POLBTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL9779069 0.81 CYP1A2 (0.56) SMN1; SMN2POLBTDP1CYP2C9CYP2C19
SCHEMBL1303442 0.78 CYP1A2 (0.56) SMN1; SMN2POLBTDP1L3MBTL1CYP2C19
SCHEMBL1304185 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CYP26A1TDP1CYP2C9CYP2C19
SCHEMBL2398084 0.75 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPT
SCHEMBL1303722 0.74 POLB (0.55) SMN1; SMN2POLBMAPTKMT2A
SCHEMBL5904628 0.73 ATM (0.51) PDE4DNPC1ALDH1A1RAB9AMAPT

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 15 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-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
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-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 SMN1; SMN2 483/4885CYP26A1 2343/4885POLB 4263/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR SMN1; SMN2 1287/4885CYP26A1 1761/4885POLB 3909/4885
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator MPL, PDGFRA, THPO SMN1; SMN2 2350/4885CYP26A1 246/4885POLB 4016/4885

“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.