SCHEMBL3858172

SCHEMBL3858172

COc1ccccc1N1CCN(C(=O)N[C@@H]2CCN(C(=O)c3ccc(C)nc3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 3/20 0.45
NPC1 O15118 1/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL5748950 1.00 MEN1 (0.50) MEN1KMT2APOLBLMNATSHR
SCHEMBL5747491 0.87 POLB (0.50) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL3857038 0.87 POLB (0.50) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL3866714 0.85 USP30 (0.54) KMT2APOLBLMNATSHRSMN1; SMN2
SCHEMBL5747603 0.83 KDM4E (0.53) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL3863212 0.83 KDM4E (0.53) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL5745163 0.81 PRKAA2 (0.49) POLBSMN1; SMN2ALDH1A1
SCHEMBL3860102 0.81 PRKAA2 (0.49) POLBSMN1; SMN2ALDH1A1
SCHEMBL3862880 0.81 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1
SCHEMBL5746938 0.81 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US claimed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US claimed
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO claimed
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US disclosed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US disclosed
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 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-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea FLT4, FLT1, KDR MEN1 4169/4885KMT2A 4101/4885POLB 502/4885

“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.