SCHEMBL4918669

SCHEMBL4918669

CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(C(=O)NN)cc1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
F7 P08709 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAMPT P43490 5/20 0.44
F2 P00734 1/20 0.43
TSHR P16473 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
USP2 O75604 1/20 0.41
AVPR1A P37288 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR4 P51679 2/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL4918662 1.00 F10 (0.51) F10F7NPSR1NAMPTF2
SCHEMBL4913364 0.93 F10 (0.49) F10F7NPSR1NAMPTF2
SCHEMBL4913357 0.93 F10 (0.49) F10F7NPSR1NAMPTF2
SCHEMBL14067958 0.93 NPSR1 (0.53) F10F7NPSR1NAMPTF2
SCHEMBL4922803 0.92 NPSR1 (0.52) F10F7NPSR1NAMPTF2
SCHEMBL4922817 0.92 NPSR1 (0.52) F10F7NPSR1NAMPTF2
SCHEMBL4924392 0.91 NPSR1 (0.53) F10F7NPSR1NAMPTF2
SCHEMBL4924403 0.91 NPSR1 (0.53) F10F7NPSR1NAMPTF2
SCHEMBL4787550 0.90 NPSR1 (0.51) F10F7NPSR1NAMPTF2
SCHEMBL4787544 0.90 NPSR1 (0.51) F10F7NPSR1NAMPTF2

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

“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.