SCHEMBL4744610

SCHEMBL4744610

O=C(NCc1ccccc1)Nc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 5/20 0.69
POLB P06746 1/20 0.69
MAOB P27338 1/20 0.69
MEN1 O00255 1/20 0.69
TP53 P04637 1/20 0.69
HPGD P15428 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PTPN1 P18031 1/20 0.69
MAPT P10636 2/20 0.68
CA2 P00918 3/20 0.66
CA1 P00915 2/20 0.66
ROCK2 O75116 2/20 0.66
RORC P51449 2/20 0.66
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
ROCK1 Q13464 1/20 0.66
HTT P42858 1/20 0.64
NAMPT P43490 2/20 0.61

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
SCHEMBL14025738 0.97 NPC1 (0.73) NPC1RAB9APOLBMAOBMEN1
SCHEMBL4743393 0.90 NPC1 (0.73) NPC1RAB9APOLBMAOBMEN1
SCHEMBL2831462 0.89 NPC1 (0.77) NPC1RAB9APOLBMAOBMEN1
SCHEMBL13185536 0.87 POLB (0.70) NPC1RAB9APOLBMAOBMEN1
SCHEMBL4743832 0.87 CA2 (0.67) NPC1RAB9APOLBMAOBMEN1
SCHEMBL17000091 0.86 NPC1 (0.73) NPC1RAB9APOLBMAOBMEN1
SCHEMBL22588922 0.86 NPC1 (0.68) NPC1RAB9APOLBMAOBMEN1
SCHEMBL10133206 0.86 ROCK2 (0.80) NPC1RAB9APOLBMAOBMEN1
SCHEMBL8868781 0.85 NPC1 (0.63) NPC1RAB9APOLBMAOBMEN1
SCHEMBL8868774 0.85 NPC1 (0.63) NPC1RAB9APOLBMAOBMEN1

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 NPC1 407/4885RAB9A 1997/4885POLB 669/4885

“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.