SCHEMBL14045852

SCHEMBL14045852

CN(CCCN1CCOCC1)S(=O)(=O)c1cccc(CNCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 2/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41

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
SCHEMBL14068304 0.89 LMNA (0.45) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL14025612 0.86 KMT2A (0.48) GAAPOLBEPHX2MEN1KMT2A
SCHEMBL14025611 0.84 KDM4E (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL14045823 0.81 GAA (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14025602 0.80 GAA (0.52) GAAPOLBEPHX2MEN1KMT2A
SCHEMBL4922921 0.78 CXCR4 (0.54) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL28092846 0.77 MEN1 (0.58) GAAMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL14025610 0.77 GAA (0.54) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14068453 0.76 CXCR4 (0.44) GAAALDH1A1KDM4ETDP1
SCHEMBL4787819 0.75 CXCR4 (0.61) MEN1KMT2AALDH1A1KDM4EMAPK1

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 2 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
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 GAA 3192/4885POLB 669/4885EPHX2 2638/4885

“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.