SCHEMBL14025550

SCHEMBL14025550

CC(c1ccccc1)N(C)S(=O)(=O)c1cccc(CNCc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NAMPT P43490 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 1/20 0.40
SMARCA2 P51531 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL14025564 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NAMPTKDM4E
SCHEMBL14025557 0.83 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1NAMPT
SCHEMBL14025548 0.83 PKM (0.53) ALDH1A1GAAKMT2AMEN1ADORA2A
SCHEMBL4924534 0.80 KMT2A (0.58) ALDH1A1GAAKMT2AMEN1ADORA2A
SCHEMBL14025563 0.77 GAA (0.47) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL1878739 0.76 MEN1 (0.50) ALDH1A1KMT2AMEN1ADORA2AADORA1
SCHEMBL29823902 0.76 MEN1 (0.50) ALDH1A1KMT2AMEN1ADORA2AADORA1
SCHEMBL14025549 0.75 L3MBTL1 (0.57) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL14025555 0.75 NPSR1 (0.55) ALDH1A1GAAKMT2AMEN1ADORA2A
SCHEMBL14025553 0.75 L3MBTL1 (0.62) ALDH1A1GAAKMT2AMEN1SMN1; SMN2

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 ALDH1A1 423/4885GAA 3192/4885KMT2A 682/4885

“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.