SCHEMBL1993622

SCHEMBL1993622

COC(=O)Cn1c(C)cc(-c2ccccc2)c1ONc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
LMNA P02545 5/20 0.37
KDM4E B2RXH2 3/20 0.37
PHGDH O43175 2/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCKAR P32238 3/20 0.33
GBA1 P04062 2/20 0.33
POLB P06746 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
MT-CO1 P00395 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL1127059 0.85 MAPT (0.36) MAPTLMNAKDM4EPHGDHTSHR
SCHEMBL1126838 0.78 MAPT (0.38) MAPTLMNAKDM4EPHGDHTSHR
SCHEMBL1126811 0.77 MAPT (0.36) MAPTLMNAKDM4EPHGDHTSHR
SCHEMBL1126825 0.76 LMNA (0.39) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1127149 0.70 TSHR (0.40) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1126589 0.70 LMNA (0.39) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1128005 0.70 MAPT (0.36) MAPTPHGDHCCKARALDH1A1MEN1
SCHEMBL15161866 0.69 SMN1; SMN2 (0.37) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1126741 0.69 LMNA (0.39) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1998014 0.68 MEN1 (0.40) MAPTLMNAKDM4ETSHRMAPK1

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 11 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-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

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 MAPT 1696/4885LMNA 3641/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885LMNA 3641/4885KDM4E 1706/4885

“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.