SCHEMBL1638646

SCHEMBL1638646

COC(=O)c1ccc(CN(Cc2nccn2C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KCNA5 P22460 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP4A11 Q02928 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP4F2 P78329 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL1636495 0.87 HDAC3 (0.40) HDAC1HDAC3HDAC2NCOR2KCNA5
SCHEMBL3748913 0.79 HDAC1 (0.65) SMN1; SMN2LMNAHDAC1HDAC3HDAC2
SCHEMBL380610 0.79 HDAC1 (0.56) SMN1; SMN2LMNAHDAC1HDAC3HDAC2
SCHEMBL4939432 0.78 HDAC3 (0.51) SMN1; SMN2LMNAHDAC1HDAC3HDAC2
SCHEMBL6018095 0.78 LMNA (0.38) LMNAHDAC1HDAC3HDAC2NCOR2
SCHEMBL1368166 0.78 HDAC1 (0.52) SMN1; SMN2LMNAHDAC1HDAC3HDAC2
SCHEMBL2655936 0.78 HDAC1 (0.54) SMN1; SMN2LMNAHDAC1HDAC3HDAC2
SCHEMBL1204960 0.77 KDM4E (0.46) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1638167 0.77 CXCR4 (0.47) HDAC1HDAC3HDAC2NCOR2KCNA5
SCHEMBL1637497 0.77 CXCR4 (0.50) HDAC1HDAC3HDAC2NCOR2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP SMN1; SMN2 2044/4885LMNA 1113/4885HDAC1 651/4885
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 SMN1; SMN2 2498/4885LMNA 4136/4885HDAC1 582/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 SMN1; SMN2 2494/4885LMNA 3768/4885HDAC1 366/4885

“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.