SCHEMBL4914918

SCHEMBL4914918

CN(CC(=O)NCc1ccccn1)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL14025827 0.86 KDM4E (0.59) MEN1KMT2ARAB9ACTSLCTSS
SCHEMBL14068428 0.76 MEN1 (0.59) GAAALDH1A1L3MBTL1HPGDMEN1
SCHEMBL14025823 0.76 TSHR (0.55) POLBTSHRALDH1A1L3MBTL1HPGD
SCHEMBL4741844 0.76 KMT2A (0.65) L3MBTL1MEN1KMT2ARAB9AHDAC1
SCHEMBL2561294 0.75 KDM4E (0.67) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL4920952 0.74 LMNA (0.69) POLBALDH1A1L3MBTL1HPGDALOX15
SCHEMBL14025815 0.72 HDAC1 (0.57) GAATSHRALDH1A1HPGDMEN1
SCHEMBL28478191 0.71 POLB (1.00) POLBGAATSHRALDH1A1L3MBTL1
SCHEMBL31248348 0.71 KMT2A (0.73) GAAALDH1A1L3MBTL1HPGDMEN1
SCHEMBL6750774 0.71 GAA (0.62) POLBGAATSHRALDH1A1L3MBTL1

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 POLB 669/4885GAA 3192/4885TSHR 4663/4885

“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.