SCHEMBL2401141

SCHEMBL2401141

COC(=O)c1ccc(CN(C(=O)OC(C)(C)C)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 2/20 0.44
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL18617685 0.94 HDAC6 (0.49) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL6587329 0.93 AGER (0.45) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL13267489 0.91 GPR119 (0.48) HDAC8HDAC6HDAC3HSD11B1KDM1A
SCHEMBL2659959 0.89 HDAC6 (0.46) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL2659961 0.89 HDAC6 (0.46) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL4080825 0.88 ALDH1A1 (0.49) HDAC8HDAC6HDAC3ALDH1A1
SCHEMBL4080828 0.88 ALDH1A1 (0.49) HDAC8HDAC6HDAC3ALDH1A1
SCHEMBL3117999 0.88 AGER (0.48) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL18173049 0.87 HDAC6 (0.44) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL18173052 0.87 HDAC6 (0.44) MEN1KMT2AHDAC8HDAC6HDAC3

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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 (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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MEN1 4124/4885KMT2A 1733/4885MAPK1 163/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MEN1 4124/4885KMT2A 1733/4885MAPK1 163/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 MEN1 4124/4885KMT2A 1733/4885MAPK1 163/4885

“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.