SCHEMBL4921732

SCHEMBL4921732

CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNCc2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 2/20 0.47
HSD17B10 Q99714 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 5/20 0.44
HTT P42858 1/20 0.42
TACR2 P21452 2/20 0.42
CCR4 P51679 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL4921715 1.00 NPSR1 (0.47) NPSR1EPHX2HSD17B10F10F7
SCHEMBL4923118 0.95 NPSR1 (0.51) NPSR1EPHX2HSD17B10F10F7
SCHEMBL4925156 0.95 NPSR1 (0.51) NPSR1EPHX2HSD17B10F10F7
SCHEMBL14025001 0.95 NPSR1 (0.51) NPSR1EPHX2HSD17B10F10F7
SCHEMBL4787475 0.94 NPSR1 (0.50) NPSR1HSD17B10F10F7POLB
SCHEMBL4787467 0.94 NPSR1 (0.50) NPSR1HSD17B10F10F7POLB
SCHEMBL14025429 0.89 NPSR1 (0.47) NPSR1EPHX2F10F7NAMPT
SCHEMBL14025802 0.89 NPSR1 (0.43) NPSR1EPHX2HSD17B10F10F7
SCHEMBL14025375 0.89 NPSR1 (0.43) NPSR1EPHX2HSD17B10F10F7
SCHEMBL4918703 0.89 NPSR1 (0.48) NPSR1HSD17B10F10F7POLB

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 4497/4885EPHX2 2638/4885HSD17B10 3381/4885

“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.