SCHEMBL1553095

SCHEMBL1553095

CCNC(=O)Nc1nc(-c2cccc(C(=O)OC)c2)cs1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ROCK1 Q13464 11/20 0.53
ROCK2 O75116 10/20 0.53
ABL1 P00519 2/20 0.51
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PAX8 Q06710 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
SCHEMBL1553199 0.88 MAPK1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1553969 0.87 ROCK1 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL23705337 0.83 NPC1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL18387916 0.82 ALDH1A1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11087776 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL25193417 0.79 HDAC3 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL10748139 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL10748142 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9093708 0.78 GABRG2 (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1553464 0.77 ROCK2 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A

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 9 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
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 MEN1 749/4885KMT2A 4253/4885ALDH1A1 488/4885

“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.