SCHEMBL4743987

SCHEMBL4743987

O=S(=O)(NCc1ccccc1)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.63
KEAP1 Q14145 1/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.57
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA1 P00915 2/20 0.56
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 2/20 0.55
CA12 O43570 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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 0.88 L3MBTL1 (0.57) PRMT1KEAP1ALDH1A1LMNASMN1; SMN2
SCHEMBL4743973 0.85 PKM (0.60) PRMT1KEAP1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL14025568 0.84 L3MBTL1 (0.61) PRMT1KEAP1ALDH1A1LMNASMN1; SMN2
SCHEMBL14025553 0.83 L3MBTL1 (0.62) PRMT1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1873887 0.82 PRMT1 (0.77) PRMT1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2947235 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL12059017 0.81 ALDH1A1 (0.71) PRMT1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4924546 0.81 CXCR3 (0.64) ALDH1A1LMNASMN1; SMN2NPSR1CA2
SCHEMBL3314110 0.81 L3MBTL1 (0.62) ALDH1A1SMN1; SMN2CA2MEN1KMT2A
SCHEMBL29860055 0.81 L3MBTL1 (0.62) ALDH1A1SMN1; SMN2CA2MEN1KMT2A

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 PRMT1 126/4885KEAP1 2091/4885ALDH1A1 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.