SCHEMBL1553587

SCHEMBL1553587

CCCCNC(=O)c1nc(Cl)sc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM4 P08173 2/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 7/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 4/20 0.39
KIFC1 Q9BW19 1/20 0.39
MAPT P10636 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL1553279 0.92 ALDH1A1 (0.47) ALDH1A1CYP1A2HTTTSHRLMNA
SCHEMBL1553846 0.87 ALDH1A1 (0.45) ALDH1A1CYP1A2CHRM4HTTL3MBTL1
SCHEMBL1554058 0.87 ALDH1A1 (0.49) ALDH1A1CYP1A2CHRM4HTTTSHR
SCHEMBL27789851 0.84 HPGD (0.45) ALDH1A1CHRM4HTTTSHRLMNA
SCHEMBL1505552 0.80 ALDH1A1 (0.66) ALDH1A1CYP1A2TSHRLMNAHPGD
SCHEMBL1553145 0.80 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CHRM4HTTTSHR
SCHEMBL1552481 0.80 ALDH1A1 (0.53) ALDH1A1CYP1A2CHRM4HTTTSHR
SCHEMBL1553485 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2CHRM4HTTTSHR
SCHEMBL3399751 0.79 GAA (0.48) ALDH1A1CYP1A2TSHRHPGDKDM4E
SCHEMBL1553063 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2HTTTSHRLMNA

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
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
EP-2102199-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US 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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 ALDH1A1 488/4885CYP1A2 41/4885CHRM4 4037/4885

“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.