SCHEMBL14025510

SCHEMBL14025510

CN(C)S(=O)(=O)N1CCN(Cc2ccc(S(=O)(=O)N3Cc4ccccc4C3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.55
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 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
SCHEMBL14025486 0.93 KMT2A (0.55) LSSLMNAMEN1KMT2AHTT
SCHEMBL14025674 0.87 ALDH1A1 (0.53) LMNAMEN1KMT2AHTTTSHR
SCHEMBL14025511 0.86 LMNA (0.56) LSSLMNATSHRL3MBTL1SMN1; SMN2
SCHEMBL14025501 0.86 LSS (0.60) LSSLMNATSHRL3MBTL1SMN1; SMN2
SCHEMBL14025495 0.83 TSHR (0.60) LMNAMEN1KMT2AHTTTSHR
SCHEMBL14025498 0.82 TSHR (0.63) LMNAMEN1KMT2AHTTTSHR
SCHEMBL14025649 0.81 AKR1C3 (0.55) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14025499 0.80 LSS (0.60) LSSLMNAMEN1KMT2AHTT
SCHEMBL4741281 0.80 SIGMAR1 (0.54) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL14025502 0.80 TSHR (0.50) LMNAMEN1KMT2ATSHRL3MBTL1

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 2 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
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 LSS 2842/4885LMNA 2811/4885MEN1 173/4885

“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.