SCHEMBL15260256

SCHEMBL15260256

Brc1cncc(CN2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
CYP2A13 Q16696 2/20 0.42
ALOX15 P16050 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL4553878 0.80 CXCR4 (0.53) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL31372331 0.77 CXCR4 (0.77) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL465778 0.77 CXCR4 (0.77) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL4547902 0.76 CXCR4 (0.49) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL27969910 0.75 CXCR4 (0.51) CXCR4SMN1; SMN2ALOX15HRH3CYP2C9
SCHEMBL14905955 0.75 CXCR4 (0.47) CXCR4SMN1; SMN2ALOX15HRH3CYP2C9
SCHEMBL19725176 0.75 CXCR4 (0.44) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL31002170 0.75 CXCR4 (0.50) CXCR4SMN1; SMN2CYP2A13ALOX15HRH3
SCHEMBL29520057 0.73 SMN1; SMN2 (0.54) CXCR4SMN1; SMN2ALOX15HRH3CYP2C9
SCHEMBL21852879 0.72 CXCR4 (0.51) CXCR4SMN1; SMN2ALOX15HRH3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 WO disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 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 (3 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD CXCR4 2654/4885SMN1; SMN2 4614/4885CYP2A13 834/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS CXCR4 2781/4885SMN1; SMN2 4323/4885CYP2A13 844/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD CXCR4 2654/4885SMN1; SMN2 4614/4885CYP2A13 834/4885

“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.