SCHEMBL4923116

SCHEMBL4923116

CCOC(OCC)c1ccc(CNCCCN2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 1/20 0.58
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3175221 0.83 CYP2C19 (0.80) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL3179723 0.80 CYP2C19 (0.76) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL3181193 0.79 CYP2C19 (0.70) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL3181015 0.79 CYP2C19 (0.74) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL6205446 0.78 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3185540 0.77 CYP2C19 (0.67) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL3997594 0.77 CYP2C19 (0.70) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL14068495 0.77 CYP2C19 (0.70) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL3175514 0.77 CYP2C19 (0.70) CYP2C19CYP2D6CYP3A4MEN1KMT2A
SCHEMBL6206056 0.77 CYP2C19 (0.70) CYP2C19CYP2D6CYP3A4MEN1KMT2A

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 4 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

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 CYP2C19 747/4885CYP2D6 962/4885CYP3A4 821/4885

“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.