SCHEMBL1126490

SCHEMBL1126490

CCCNC(=O)C(=O)c1cc(-c2ccccc2)cn1CCOC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.39
HPGD P15428 6/20 0.37
TP53 P04637 2/20 0.37
IL1B P01584 1/20 0.37
P2RX7 Q99572 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 6/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 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
SCHEMBL1127347 0.80 CNR1 (0.50) CNR1CNR2HPGDALDH1A1
SCHEMBL1127835 0.77 L3MBTL1 (0.43) CNR1CNR2HPGDKDM4EGAA
SCHEMBL1126536 0.77 CNR1 (0.46) CNR1CNR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1989510 0.70 CNR1 (0.41) CNR1CNR2HPGDTP53IL1B
SCHEMBL1126514 0.69 ALDH1A1 (0.41) CNR1CNR2HPGDP2RX7ALDH1A1
SCHEMBL1127170 0.69 CNR1 (0.43) CNR1CNR2HPGDALDH1A1NPSR1
SCHEMBL1126651 0.69 CNR1 (0.45) CNR1CNR2HPGDTP53IL1B
SCHEMBL1126990 0.69 CNR1 (0.45) CNR1CNR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1988726 0.68 CCNC (0.40) CNR1CNR2TP53SMN1; SMN2ALDH1A1
SCHEMBL1127836 0.68 P2RX7 (0.41) CNR1CNR2IL1BP2RX7SMN1; SMN2

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 16 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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 CNR1 1131/4885CNR2 3554/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CNR1 1131/4885CNR2 3554/4885HPGD 2971/4885

“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.