SCHEMBL4787606

SCHEMBL4787606

O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
GAA P10253 2/20 0.72
HSD17B10 Q99714 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
KEAP1 Q14145 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHEK2 O96017 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL9300316 0.88 GAA (0.80) SMN1; SMN2GAAHSD17B10KEAP1RAB9A
SCHEMBL14025441 0.84 SMN1; SMN2 (0.64) SMN1; SMN2GAAALDH1A1L3MBTL1CHEK2
SCHEMBL12768589 0.84 GAA (0.77) SMN1; SMN2GAAHSD17B10RAB9ANPC1
SCHEMBL12768582 0.84 SMN1; SMN2 (1.00) SMN1; SMN2GAAHSD17B10RAB9ANPC1
SCHEMBL12200972 0.83 GAA (0.65) SMN1; SMN2GAARAB9ANPC1ALDH1A1
SCHEMBL4913474 0.79 ALDH1A1 (0.55) SMN1; SMN2GAAHSD17B10RAB9ANPC1
SCHEMBL22650871 0.76 GAA (0.72) SMN1; SMN2GAAHSD17B10ALDH1A1PKM
SCHEMBL14025800 0.76 MAPT (0.66) SMN1; SMN2GAAITGB3ITGAVRAB9A
SCHEMBL22633565 0.76 GAA (0.61) SMN1; SMN2GAAHSD17B10RAB9ANPC1
SCHEMBL5711769 0.75 L3MBTL1 (0.54) SMN1; SMN2GAAHSD17B10KEAP1RAB9A

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 SMN1; SMN2 3131/4885GAA 3192/4885HSD17B10 3381/4885

“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.