SCHEMBL14005174

SCHEMBL14005174

O=S(=O)(c1ccccc1)N(Cc1ccc(CNCc2ccccn2)cc1)Nc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GAA P10253 2/20 0.45
KCNA5 P22460 1/20 0.45
CA2 P00918 1/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CXCR3 P49682 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4924546 0.81 CXCR3 (0.64) KMT2AKCNA5CA2ALDH1A1SMN1; SMN2
SCHEMBL4924569 0.79 GAA (0.55) KMT2AGAAKCNA5CA2ALDH1A1
SCHEMBL27312344 0.75 NPC1 (0.63) KMT2AGAAKCNA5CA2ALDH1A1
SCHEMBL4924534 0.74 KMT2A (0.58) KMT2AGAAKCNA5ALDH1A1SMN1; SMN2
SCHEMBL4916922 0.74 CXCR3 (0.53) KMT2AKCNA5CA2SMN1; SMN2CXCR3
SCHEMBL29860055 0.74 L3MBTL1 (0.62) KMT2ACA2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3314110 0.74 L3MBTL1 (0.62) KMT2ACA2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14025548 0.73 PKM (0.53) KMT2AGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2947235 0.72 ALDH1A1 (0.63) KMT2AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4743987 0.72 PRMT1 (0.63) KMT2ACA2ALDH1A1SMN1; SMN2LMNA

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 4463/4885GAA 4547/4885KCNA5 4394/4885

“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.