SCHEMBL14025580

SCHEMBL14025580

O=S(=O)(c1cccc(CNCc2ccco2)c1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ HTT P42858 2/20 0.60
▸ TAS2R14 Q9NYV8 4/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 3/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ATM Q13315 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL4924945 0.88 TSHR (0.66) TSHRHTTTAS2R14MEN1KMT2A
SCHEMBL14025593 0.80 TAS2R14 (0.55) TAS2R14MEN1KMT2ACNR1CNR2
SCHEMBL14025639 0.79 TAS2R14 (0.49) TAS2R14MEN1KMT2ALMNACNR2
SCHEMBL14025638 0.77 PDE4A (0.58) TAS2R14KMT2ALMNAALDH1A1HSD17B10
SCHEMBL4924534 0.76 KMT2A (0.58) TSHRTAS2R14MEN1KMT2AALDH1A1
SCHEMBL14025583 0.75 TAS2R14 (0.56) TAS2R14MEN1KMT2ALMNACNR2
SCHEMBL6122941 0.74 TSHR (0.72) TSHRHTTTAS2R14MEN1KMT2A
SCHEMBL11014192 0.74 MEN1 (0.71) TSHRMEN1KMT2ALMNAATM
SCHEMBL4741416 0.73 TAS2R14 (0.62) TAS2R14MEN1KMT2ACNR1CNR2
SCHEMBL14025560 0.73 ALDH1A1 (0.53) HTTTAS2R14MEN1KMT2ALMNA

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 3 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
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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