SCHEMBL14025599

SCHEMBL14025599

O=S(=O)(NCc1ccccc1)c1cccc(CN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
DRD2 P14416 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
DRD4 P21917 1/20 0.55
KEAP1 Q14145 1/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
HTR7 P34969 2/20 0.51
OPRM1 P35372 1/20 0.50
DRD3 P35462 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
SCHEMBL14025447 0.88 LMNA (0.64) LMNAALDH1A1DRD2SMN1; SMN2POLB
SCHEMBL14025724 0.87 ALDH1A1 (0.63) LMNAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL14025720 0.86 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL14025727 0.84 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL14025573 0.84 CHRM3 (0.62) LMNAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL14025677 0.77 DRD2 (0.58) LMNAALDH1A1DRD2KMT2AHTT
SCHEMBL14025627 0.76 CXCR4 (0.60) ALDH1A1DRD2HPGDHTTDRD4
SCHEMBL19561880 0.74 PGR (0.63) LMNAALDH1A1DRD2DRD4HTR7
SCHEMBL14025561 0.74 KEAP1 (0.71) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL14025542 0.74 ALDH1A1 (0.68) LMNAALDH1A1SMN1; SMN2POLBHPGD

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 LMNA 2811/4885ALDH1A1 423/4885DRD2 4665/4885

“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.