SCHEMBL14025549

SCHEMBL14025549

O=S(=O)(NCc1ccccc1)c1cccc(CNCc2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KEAP1 Q14145 1/20 0.54
NPC1 O15118 1/20 0.53
PRMT1 Q99873 1/20 0.52
LMNA P02545 3/20 0.51
CA2 P00918 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL14025568 0.96 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14025553 0.95 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4743987 0.88 PRMT1 (0.63) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14025561 0.87 KEAP1 (0.71) L3MBTL1SMN1; SMN2ALDH1A1KEAP1LMNA
SCHEMBL14025559 0.82 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4071811 0.82 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4924534 0.81 KMT2A (0.58) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1873887 0.79 PRMT1 (0.77) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14931741 0.79 KMT2A (0.68) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30225577 0.79 KMT2A (0.68) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A

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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A L3MBTL1 1552/4885SMN1; SMN2 3131/4885ALDH1A1 423/4885

“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.