SCHEMBL1127835

SCHEMBL1127835

CCCNC(=O)C(=O)c1c(-c2ccccc2)ccn1CCOC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
CAPN1 P07384 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA2 P47869 1/20 0.36
GLO1 Q04760 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15161955 0.84 SMN1; SMN2 (0.44) THRBCNR1CNR2MAPTKDM4E
SCHEMBL1127046 0.81 CNR1 (0.46) L3MBTL1CNR1CNR2KDM4EHPGD
SCHEMBL1126490 0.77 CNR1 (0.42) L3MBTL1CNR1CNR2KDM4EHPGD
SCHEMBL1647570 0.70 L3MBTL1 (0.77) L3MBTL1THRBMAPTHTTKDM4E
SCHEMBL15162449 0.70 ALDH1A1 (0.42) L3MBTL1CNR1CNR2KDM4EHPGD
SCHEMBL1127685 0.68 POLB (0.39) CNR1CNR2MAPTKDM4EHPGD
SCHEMBL1126995 0.68 GFER (0.39) L3MBTL1THRBCNR1CNR2KDM4E
SCHEMBL15162305 0.66 KDM4E (0.46) CNR2MAPTHTTKDM4EHPGD
SCHEMBL1127404 0.65 HSD17B10 (0.41) L3MBTL1MAPTHTTKDM4EHPGD
SCHEMBL13531416 0.64 HPGD (0.73) THRBMAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 L3MBTL1 1045/4885THRB 3927/4885CNR1 1131/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 L3MBTL1 1045/4885THRB 3927/4885CNR1 1131/4885

“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.