SCHEMBL4920952

SCHEMBL4920952

O=C(NCc1ccccn1)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
POLB P06746 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
MAPK14 Q16539 1/20 0.64
AGTR1 P30556 1/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CA2 P00918 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.57
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NAMPT P43490 1/20 0.54

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
SCHEMBL166484 0.84 LMNA (0.82) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL28901223 0.84 POLB (0.72) LMNAPOLBNPC1RAB9AMAPK14
Hydrochloric Acid SCHEMBL27843329 0.83 LMNA (0.80) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL14025085 0.83 HDAC6 (0.68) LMNAPOLBRAB9AALDH1A1KDM4E
SCHEMBL8404650 0.82 LMNA (0.70) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL4064273 0.82 LMNA (0.70) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL506163 0.82 LMNA (0.70) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL1393086 0.82 LMNA (1.00) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL6643327 0.82 LMNA (0.69) LMNAPOLBNPC1RAB9AMAPK14
SCHEMBL15947352 0.81 LMNA (0.68) LMNAPOLBNPC1RAB9AMAPK14

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 LMNA 2811/4885POLB 669/4885NPC1 407/4885

“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.