SCHEMBL4745319

SCHEMBL4745319

COC(=O)c1ccc(CNCCCN2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2C9 P11712 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MGLL Q99685 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2255584 0.85 SMN1; SMN2 (0.59) CYP2D6MAPK1SMN1; SMN2CYP2C9MEN1
SCHEMBL1497048 0.84 POLB (0.60) CYP2D6CYP3A4CYP2C19MAPK1SMN1; SMN2
SCHEMBL3175221 0.84 CYP2C19 (0.80) CYP2D6CYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL65840 0.82 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3179723 0.81 CYP2C19 (0.76) CYP2D6CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9884550 0.81 MAPT (0.63) CYP2D6CYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL3181193 0.80 CYP2C19 (0.70) CYP2D6CYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL3181015 0.80 CYP2C19 (0.74) CYP2D6CYP3A4CYP2C19MEN1KMT2A
SCHEMBL171628 0.79 SMN1; SMN2 (0.81) MAPK1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL3173768 0.78 CYP2C19 (0.67) CYP2D6CYP3A4CYP2C19SMN1; SMN2MEN1

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 CYP2D6 962/4885CYP3A4 821/4885CYP2C19 747/4885

“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.