SCHEMBL1126684

SCHEMBL1126684

CC(=O)NCCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.49
MTNR1A P48039 10/20 0.43
MTNR1B P49286 9/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1126926 0.77 SLC18A3 (0.43) KDM4E
SCHEMBL1126694 0.77 BRD4 (0.42) KDM4E
SCHEMBL1126839 0.77 ALDH1A1 (0.46) KDM4EL3MBTL1
SCHEMBL1126929 0.75 TYR (0.46) KDM4E
SCHEMBL1126880 0.75 CNR2 (0.48) KDM4E
SCHEMBL7285130 0.74 MAPK1 (0.56) KDM4ETP53MAPK1MTNR1AMTNR1B
SCHEMBL7275842 0.74 MAPK1 (0.55) KDM4ETP53MAPK1MTNR1AMTNR1B
SCHEMBL1127073 0.73 BRD4 (0.42) KDM4E
SCHEMBL9772277 0.72 MAPK1 (0.56) KDM4ETP53MAPK1MTNR1AMTNR1B
SCHEMBL1127094 0.72 TYR (0.49) KDM4E

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
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 KDM4E 1706/4885TP53 1227/4885MAPK1 1181/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885TP53 1227/4885MAPK1 1181/4885

“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.