SCHEMBL14025567

SCHEMBL14025567

CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccc(CNCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.49
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
CYP2C9 P11712 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL14025557 0.87 ALDH1A1 (0.48) HTTTSHRNAMPTLMNAALDH1A1
SCHEMBL14025560 0.83 ALDH1A1 (0.53) HTTNAMPTLMNAPOLBALDH1A1
SCHEMBL5192024 0.82 HTT (0.67) HTTTSHRNAMPTLMNAMMP2
SCHEMBL14025564 0.79 ALDH1A1 (0.48) NAMPTLMNAPOLBALDH1A1KDM4E
SCHEMBL14025593 0.77 TAS2R14 (0.55) POLBTAS2R14
SCHEMBL14025639 0.76 TAS2R14 (0.49) NAMPTLMNAPOLBALDH1A1TAS2R14
SCHEMBL14025572 0.76 NPSR1 (0.45) LMNACA1CA2
SCHEMBL14068043 0.75 MEN1 (0.44) HTTLMNAPOLBALDH1A1KDM4E
SCHEMBL14025579 0.74 NR1H2 (0.56) HTTTSHRLMNAALDH1A1
SCHEMBL14025570 0.73 CASP3 (0.49) HTTLMNAPOLBALDH1A1KDM4E

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 HTT 4443/4885TSHR 4663/4885NAMPT 513/4885

“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.