SCHEMBL4743973

SCHEMBL4743973

O=S(=O)(Nc1ccccc1)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.53
CA2 P00918 1/20 0.52
PRMT1 Q99873 1/20 0.51
GRM4 Q14833 1/20 0.51
LIMK2 P53671 2/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAMPT P43490 1/20 0.49
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
NPC1 O15118 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL4743987 0.85 PRMT1 (0.63) KMT2AALDH1A1MEN1CA2PRMT1
SCHEMBL29860055 0.80 L3MBTL1 (0.62) KMT2AALDH1A1MEN1CA2SMN1; SMN2
SCHEMBL3314110 0.80 L3MBTL1 (0.62) KMT2AALDH1A1MEN1CA2SMN1; SMN2
SCHEMBL2947235 0.78 ALDH1A1 (0.63) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL13973482 0.77 KMT2A (0.59) PKMKMT2AALDH1A1MEN1MAPT
SCHEMBL4924546 0.77 CXCR3 (0.64) KMT2AALDH1A1MEN1CA2SMN1; SMN2
SCHEMBL27312344 0.75 NPC1 (0.63) KMT2AALDH1A1MEN1CA2HTT
SCHEMBL5892980 0.75 NPC1 (0.55) KMT2AALDH1A1MEN1CA2SMN1; SMN2
SCHEMBL4924569 0.75 GAA (0.55) PKMKMT2AALDH1A1MEN1MAPT
SCHEMBL14025549 0.74 L3MBTL1 (0.57) KMT2AALDH1A1MEN1CA2PRMT1

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 5 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
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
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 PKM 150/4885KMT2A 682/4885ALDH1A1 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.