SCHEMBL4744580

SCHEMBL4744580

O=C(NCc1ccc(CNCc2ccccn2)cc1)Nc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
NPC1 O15118 7/20 0.77
SMN1; SMN2 Q16637 4/20 0.65
ALOX15 P16050 1/20 0.65
KMT2A Q03164 5/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 1/20 0.62
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.58
POLB P06746 1/20 0.58
MAOB P27338 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.57
KDR P35968 1/20 0.57

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
SCHEMBL11618998 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALOX15KMT2A
SCHEMBL4743413 0.85 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2ALOX15KMT2A
SCHEMBL14025738 0.84 NPC1 (0.73) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL18317596 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2ALOX15KMT2A
SCHEMBL4744610 0.81 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL14024992 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALOX15KMT2A
SCHEMBL14025736 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL29860055 0.80 L3MBTL1 (0.62) SMN1; SMN2ALOX15KMT2AL3MBTL1MEN1
SCHEMBL3314110 0.80 L3MBTL1 (0.62) SMN1; SMN2ALOX15KMT2AL3MBTL1MEN1
SCHEMBL23747452 0.79 CNR1 (0.66) RAB9ANPC1SMN1; SMN2ALOX15KMT2A

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 RAB9A 1997/4885NPC1 407/4885SMN1; SMN2 3131/4885

“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.