SCHEMBL1784855

SCHEMBL1784855

CO/N=C(\C)c1ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.34
CYP17A1 P05093 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
AKT1 P31749 2/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1784857 0.91 MAPT (0.38) MAPTCYP1A2L3MBTL1HDAC8HDAC6
SCHEMBL1780463 0.84 MAPT (0.43) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4865232 0.79 MAPT (0.47) MAPTCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL28420950 0.78 MIF (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10565579 0.77 AKT1 (0.49) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10565261 0.75 NOX1 (0.46) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1781292 0.75 NPC1 (0.46) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1780465 0.74 AKT1 (0.41) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14154007 0.74 AKT1 (0.41) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14108128 0.73 EPHX2 (0.41) MAPTSMN1; SMN2KMT2AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R MAPT 2509/4885CYP1A2 111/4885L3MBTL1 777/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R MAPT 2509/4885CYP1A2 111/4885L3MBTL1 777/4885

“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.