SCHEMBL4921765

SCHEMBL4921765

CN(Cc1ccccc1)S(=O)(=O)c1cccc(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
HTR2C P28335 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 3/20 0.49

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
SCHEMBL4068031 0.84 NR1H3 (0.57) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL3565963 0.84 ALDH1A1 (0.64) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL407669 0.81 ALDH1A1 (0.73) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL18773879 0.81 ALDH1A1 (0.57) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL15676806 0.81 ALDH1A1 (0.57) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL14025560 0.80 ALDH1A1 (0.53) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL1692072 0.80 ALDH1A1 (0.53) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL14068408 0.79 ALDH1A1 (0.56) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL4745428 0.79 ALDH1A1 (0.56) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL1696927 0.78 ALDH1A1 (0.54) ALDH1A1HTTHPGDLMNAKDM4E

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 4 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

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 423/4885HTT 4443/4885HPGD 873/4885

“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.