SCHEMBL2240242

SCHEMBL2240242

NC(CCCNC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
EPHX2 P34913 1/20 0.63
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ALOX15 P16050 1/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL2240238 1.00 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
SCHEMBL18142931 0.96 SMN1; SMN2 (0.62) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
SCHEMBL8177448 0.95 SMN1; SMN2 (0.60) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
SCHEMBL1769619 0.92 EPHX2 (0.70) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
SCHEMBL1769623 0.92 EPHX2 (0.70) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
Arginine SCHEMBL27768725 0.84 LMNA (0.48) SMN1; SMN2EPHX2KMT2AALDH1A1MEN1
SCHEMBL1769057 0.83 KMT2A (0.57) SMN1; SMN2EPHX2KMT2AMEN1
SCHEMBL1769054 0.83 KMT2A (0.57) SMN1; SMN2EPHX2KMT2AMEN1
SCHEMBL2235810 0.83 P2RX7 (0.54) SMN1; SMN2EPHX2
SCHEMBL2235803 0.83 P2RX7 (0.54) SMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SMN1; SMN2 2326/4885EPHX2 2685/4885KMT2A 4208/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SMN1; SMN2 2517/4885EPHX2 2738/4885KMT2A 4121/4885

“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.