Sugi Predict

Sugi Predict / Compounds / SCHEMBL4918699

SCHEMBL4918699

SCHEMBL4918699

C[C@H](NC(=O)N(CCCN1CCOCC1)Cc1ccc(CNCC2CC2)cc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ F10 P00742 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.42
▸ CCR4 P51679 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ USP2 O75604 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL4918703 1.00 NPSR1 (0.48) NPSR1F10F7HSD17B10CCR4
SCHEMBL4925156 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL14025001 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4923118 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4787475 0.91 NPSR1 (0.50) NPSR1F10F7HSD17B10CCR4
SCHEMBL4787467 0.91 NPSR1 (0.50) NPSR1F10F7HSD17B10CCR4
SCHEMBL14025770 0.90 NPSR1 (0.49) NPSR1F10F7HSD17B10CCR4
SCHEMBL14025771 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10CCR4
SCHEMBL14025012 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10CCR4
SCHEMBL4923494 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10CCR4

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 NPSR1 4497/4885F10 3356/4885F7 3229/4885

“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.