SCHEMBL1483038

SCHEMBL1483038

COC(=O)c1ccc(C(=O)NN=C(C)c2csc(-c3ccc(C(F)(F)F)cc3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.43
PTPN1 P18031 1/20 0.42
PTGS1 P23219 1/20 0.40
ESRRG P62508 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
KDM1A O60341 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SIRT5 Q9NXA8 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL1483036 1.00 MTOR (0.43) MTORPTPN1PTGS1ESRRGMAPT
SCHEMBL12829607 1.00 MTOR (0.43) MTORPTPN1PTGS1ESRRGMAPT
SCHEMBL13720701 0.91 ESRRG (0.51) PTGS1ESRRGMAPTKDM1AGAA
SCHEMBL1482922 0.91 ESRRG (0.51) PTGS1ESRRGMAPTKDM1AGAA
SCHEMBL1482921 0.91 ESRRG (0.51) PTGS1ESRRGMAPTKDM1AGAA
SCHEMBL3978279 0.90 MTOR (0.45) MTORESRRGMAPTTP53KDM1A
SCHEMBL12829730 0.90 MTOR (0.45) MTORESRRGMAPTTP53KDM1A
SCHEMBL3978275 0.90 MTOR (0.45) MTORESRRGMAPTTP53KDM1A
SCHEMBL1484343 0.89 MAPT (0.43) MTORPTPN1MAPTKDM1ASMN1; SMN2
SCHEMBL1484344 0.89 MAPT (0.43) MTORPTPN1MAPTKDM1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 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-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (5 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MTOR 1158/4885PTPN1 1416/4885PTGS1 1704/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 MTOR 1102/4885PTPN1 1246/4885PTGS1 1674/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MTOR 1168/4885PTPN1 1463/4885PTGS1 1676/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MTOR 1158/4885PTPN1 1416/4885PTGS1 1704/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MTOR 1158/4885PTPN1 1416/4885PTGS1 1704/4885

“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.