SCHEMBL4743359

SCHEMBL4743359

O=S(=O)(NCc1ccccc1)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
CXCR4 P61073 1/20 0.61
SIGMAR1 Q99720 1/20 0.60
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
KEAP1 Q14145 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR7 P34969 1/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL14025542 0.88 ALDH1A1 (0.68) LMNASMN1; SMN2HPGDHTTCXCR4
SCHEMBL14025573 0.87 CHRM3 (0.62) LMNASMN1; SMN2HPGDHTTCXCR4
SCHEMBL14025545 0.86 ALDH1A1 (0.67) LMNASMN1; SMN2HPGDHTTCXCR4
SCHEMBL14025541 0.84 LMNA (0.62) LMNASMN1; SMN2HPGDHTTALDH1A1
SCHEMBL4742905 0.84 LMNA (0.62) LMNASMN1; SMN2HPGDHTTALDH1A1
SCHEMBL14025447 0.83 LMNA (0.64) LMNASMN1; SMN2HPGDHTTALDH1A1
SCHEMBL4787659 0.79 ALDH1A1 (0.58) LMNASMN1; SMN2HPGDHTTCXCR4
SCHEMBL28915797 0.79 SIGMAR1 (0.74) LMNACXCR4SIGMAR1ALDH1A1
SCHEMBL6138636 0.78 SIGMAR1 (1.00) LMNACXCR4SIGMAR1ALDH1A1POLB
SCHEMBL276363 0.78 SIGMAR1 (1.00) LMNACXCR4SIGMAR1ALDH1A1POLB

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 5 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
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 LMNA 2811/4885SMN1; SMN2 3131/4885HPGD 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.