SCHEMBL4787475

SCHEMBL4787475

CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CNCCCN2CCOCC2)cc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
POLB P06746 1/20 0.45
CCR4 P51679 2/20 0.45
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TACR2 P21452 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
NAMPT P43490 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4787467 1.00 NPSR1 (0.50) NPSR1HTTF10F7POLB
SCHEMBL4925156 0.94 NPSR1 (0.51) NPSR1F10F7POLBHSD17B10
SCHEMBL4923118 0.94 NPSR1 (0.51) NPSR1F10F7POLBHSD17B10
SCHEMBL14025001 0.94 NPSR1 (0.51) NPSR1F10F7POLBHSD17B10
SCHEMBL4921732 0.94 NPSR1 (0.47) NPSR1HTTF10F7POLB
SCHEMBL4921715 0.94 NPSR1 (0.47) NPSR1HTTF10F7POLB
SCHEMBL4918699 0.91 NPSR1 (0.48) NPSR1HTTF10F7POLB
SCHEMBL4918703 0.91 NPSR1 (0.48) NPSR1HTTF10F7POLB
SCHEMBL14025771 0.91 NPSR1 (0.48) NPSR1HTTF10F7POLB
SCHEMBL4923494 0.91 NPSR1 (0.48) NPSR1HTTF10F7POLB

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 NPSR1 4497/4885HTT 4443/4885F10 3356/4885

“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.