SCHEMBL4924945

SCHEMBL4924945

O=S(=O)(c1ccc(CNCc2ccco2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.66
▸ HTT P42858 3/20 0.66
▸ TAS2R14 Q9NYV8 5/20 0.63
▸ LMNA P02545 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ CNR1 P21554 3/20 0.53
▸ CNR2 P34972 3/20 0.53
▸ ATM Q13315 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 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
SCHEMBL14025580 0.88 TSHR (0.60) TSHRHTTTAS2R14LMNARECQL
SCHEMBL4741416 0.87 TAS2R14 (0.62) TAS2R14MEN1KMT2ACNR1CNR2
SCHEMBL20387946 0.80 MEN1 (0.69) TSHRHTTTAS2R14LMNARECQL
SCHEMBL11014192 0.79 MEN1 (0.71) TSHRLMNAMEN1KMT2AATM
SCHEMBL4743380 0.79 TAS2R14 (0.54) TAS2R14MEN1KMT2ACNR2ALDH1A1
SCHEMBL4926437 0.79 CNR2 (0.64) TAS2R14MEN1KMT2ACNR1CNR2
SCHEMBL14025446 0.78 CA12 (0.65) TAS2R14MEN1KMT2ACNR2CA12
SCHEMBL1279234 0.78 TAS2R14 (1.00) TSHRHTTTAS2R14MEN1KMT2A
SCHEMBL6122941 0.76 TSHR (0.72) TSHRHTTTAS2R14LMNARECQL
SCHEMBL20393950 0.76 HTT (0.77) TSHRHTTTAS2R14LMNARECQL

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 TSHR 4663/4885HTT 4443/4885TAS2R14 4808/4885

“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.

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