SCHEMBL4748290

SCHEMBL4748290

CN(/N=C/c1ccc(CNCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.50
KMT2A Q03164 11/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MCL1 Q07820 1/20 0.50
G6PC1 P35575 5/20 0.49
MAPT P10636 9/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
HSP90AA1 P07900 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
ALOX12 P18054 3/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4885008 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL14005045 0.94 G6PC1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL13879231 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL4749060 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL4749054 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL9497879 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL8494526 0.80 MAPT (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL8494529 0.80 MAPT (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL10531365 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1SMN1; SMN2MCL1
SCHEMBL11988034 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MCL1

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 5 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
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
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 MEN1 3669/4885KMT2A 4463/4885ALDH1A1 1359/4885

“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.