SCHEMBL1638567

SCHEMBL1638567

CCOC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)N(C)Cc1ccc(CN(Cc2ncc[nH]2)C(C)c2ncc[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
POLB P06746 4/20 0.35
NPSR1 Q6W5P4 9/20 0.34
TDP1 Q9NUW8 7/20 0.34
ATM Q13315 2/20 0.34
MAPT P10636 8/20 0.34
KDM4E B2RXH2 5/20 0.34
PAX8 Q06710 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1637507 0.84 CXCR4 (0.41)
SCHEMBL1637977 0.84 CXCR4 (0.41)
SCHEMBL1638570 0.81 CXCR4 (0.51) MEN1KMT2APOLBNPSR1TDP1
SCHEMBL3737250 0.80 CA1 (0.39) MEN1KMT2APOLBNPSR1MAPT
SCHEMBL1638545 0.78 CXCR4 (0.42) MEN1KMT2AATMMAPTKDM4E
SCHEMBL1637535 0.78 CXCR4 (0.42) MEN1KMT2AATMMAPTKDM4E
SCHEMBL1206908 0.74 CXCR4 (0.46) GLA
SCHEMBL1637496 0.74 CXCR4 (0.46) GLA
SCHEMBL1637376 0.74 CXCR4 (0.46) GLA
SCHEMBL1636543 0.74 CXCR4 (0.41) MEN1KMT2AATMMAPTKDM4E

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-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

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 MEN1 1008/4885KMT2A 474/4885POLB 2350/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 MEN1 1361/4885KMT2A 488/4885POLB 2259/4885

“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.