SCHEMBL4550804

SCHEMBL4550804

COCCO/N=C/c1ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
MAPT P10636 8/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
MIF P14174 1/20 0.39
RECQL P46063 2/20 0.39
GAA P10253 3/20 0.36
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HPGD P15428 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
SCHEMBL1781128 1.00 KDM4E (0.45) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL1781130 0.92 KDM4E (0.46) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4550452 0.82 KDM4E (0.32) KDM4EMAPTNPC1RAB9A
SCHEMBL1785419 0.81 HDAC3 (0.56) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4550903 0.81 HDAC3 (0.56) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL10182754 0.79 KDM4E (0.31) KDM4EMAPTNPC1RAB9APOLB
SCHEMBL1781292 0.77 NPC1 (0.46) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL1785421 0.74 HDAC3 (0.56) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4865232 0.73 MAPT (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28420950 0.73 MIF (0.46) KDM4EMAPTNPC1RAB9AALDH1A1

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 4 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-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
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (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 KDM4E 3045/4885MAPT 2509/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KDM4E 3045/4885MAPT 2509/4885NPC1 136/4885

“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.