SCHEMBL14025568

SCHEMBL14025568

O=S(=O)(NCc1ccccn1)c1cccc(CNCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
PRMT1 Q99873 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52
KEAP1 Q14145 1/20 0.51

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
SCHEMBL14025549 0.96 L3MBTL1 (0.57) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14025553 0.96 L3MBTL1 (0.62) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4071811 0.86 L3MBTL1 (0.62) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14025561 0.85 KEAP1 (0.71) L3MBTL1SMN1; SMN2ALDH1A1LMNAKEAP1
SCHEMBL4743987 0.84 PRMT1 (0.63) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1873887 0.83 PRMT1 (0.77) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4064560 0.81 L3MBTL1 (0.62) L3MBTL1PRMT1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5032581 0.80 PRMT1 (0.72) L3MBTL1PRMT1ALDH1A1LMNAGAA
SCHEMBL20267872 0.80 L3MBTL1 (0.65) L3MBTL1PRMT1ALDH1A1LMNAGAA
SCHEMBL4067817 0.80 CYP2C19 (0.61) L3MBTL1PRMT1SMN1; SMN2NPC1

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 1552/4885PRMT1 126/4885SMN1; SMN2 3131/4885

“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.