Sugi Predict

Sugi Predict / Compounds / SCHEMBL4787006

SCHEMBL4787006

SCHEMBL4787006

COC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ F10 P00742 2/20 0.49
▸ F7 P08709 2/20 0.49
▸ CASR P41180 2/20 0.49
▸ TSHR P16473 2/20 0.46
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ USP2 O75604 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL4787003 1.00 NPSR1 (0.51) NPSR1F10F7CASRTSHR
SCHEMBL4922817 0.92 NPSR1 (0.52) NPSR1F10F7CASRTSHR
SCHEMBL4922803 0.92 NPSR1 (0.52) NPSR1F10F7CASRTSHR
SCHEMBL4913357 0.91 F10 (0.49) NPSR1F10F7CASRTSHR
SCHEMBL4913364 0.91 F10 (0.49) NPSR1F10F7CASRTSHR
SCHEMBL4924392 0.91 NPSR1 (0.53) NPSR1F10F7TSHROPRM1
SCHEMBL14067958 0.91 NPSR1 (0.53) NPSR1F10F7TSHROPRM1
SCHEMBL4924403 0.91 NPSR1 (0.53) NPSR1F10F7TSHROPRM1
SCHEMBL4918662 0.90 F10 (0.51) NPSR1F10F7CASRTSHR
SCHEMBL4918669 0.90 F10 (0.51) NPSR1F10F7CASRTSHR

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 4497/4885F10 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.