SCHEMBL5909045

SCHEMBL5909045

NC(=O)C1CCCN(C(=O)c2ccncc2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.72
HSD17B10 Q99714 1/20 0.72
RECQL P46063 1/20 0.65
RAB9A P51151 3/20 0.58
VNN1 O95497 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL3319140 0.87 HSD17B10 (0.74) GLAHSD17B10RAB9AVNN1KDM4E
SCHEMBL2995058 0.87 GLA (0.79) GLAHSD17B10RAB9AVNN1ALDH1A1
SCHEMBL3319143 0.87 HSD17B10 (0.74) GLAHSD17B10RAB9AVNN1KDM4E
SCHEMBL2995061 0.85 GLA (0.77) GLAHSD17B10RAB9AVNN1ALDH1A1
SCHEMBL5908875 0.85 VNN1 (0.67) GLAHSD17B10RAB9AVNN1KDM4E
SCHEMBL3315157 0.84 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3589879 0.84 GLA (0.75) GLAHSD17B10RAB9AKDM4EALDH1A1
SCHEMBL3315160 0.84 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL5909052 0.84 HSD17B10 (0.63) GLAHSD17B10RECQLRAB9AVNN1
SCHEMBL3315881 0.84 GLA (1.00) GLAHSD17B10RAB9AALDH1A1LMNA

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-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
EP-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 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 (2 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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GLA 467/4885HSD17B10 2130/4885RECQL 2509/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 GLA 392/4885HSD17B10 2753/4885RECQL 2243/4885

“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.