SCHEMBL14005158

SCHEMBL14005158

O=C(NCc1ccccn1)c1ccc(NNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.64
CA2 P00918 1/20 0.63
LMNA P02545 2/20 0.62
NPC1 O15118 2/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
MAPK14 Q16539 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.54
NAMPT P43490 1/20 0.53

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
SCHEMBL4893253 0.80 NPC1 (0.71) KMT2AMEN1CA2LMNANPC1
SCHEMBL166484 0.79 LMNA (0.82) KMT2AMEN1CA2LMNANPC1
Hydrochloric Acid SCHEMBL27843329 0.78 LMNA (0.80) KMT2AMEN1CA2LMNANPC1
SCHEMBL1393086 0.77 LMNA (1.00) KMT2AMEN1CA2LMNANPC1
SCHEMBL21768049 0.76 LMNA (0.76) KMT2AMEN1CA2LMNANPC1
SCHEMBL18031536 0.74 LMNA (0.74) KMT2AMEN1CA2LMNANPC1
SCHEMBL11626590 0.74 POLB (0.74) KMT2AMEN1CA2LMNANPC1
SCHEMBL95175 0.74 LMNA (0.74) KMT2AMEN1CA2LMNANPC1
SCHEMBL13102332 0.74 RAB9A (0.74) KMT2AMEN1CA2LMNANPC1
SCHEMBL11625676 0.74 LMNA (0.74) KMT2AMEN1CA2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (1 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 KMT2A 4463/4885MEN1 3669/4885CA2 4183/4885

“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.