SCHEMBL1989043

SCHEMBL1989043

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F10 P00742 1/20 0.38
CHRM3 P20309 7/20 0.37
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
TP53 P04637 1/20 0.37
PSMD14 O00487 1/20 0.35
USP2 O75604 1/20 0.35
MMP2 P08253 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1999344 0.92 MAPT (0.41) MAPTPOLBUSP2
SCHEMBL1126883 0.89 SIGMAR1 (0.38) MAPTPOLBF10
SCHEMBL1126921 0.89 MAPT (0.37) MAPTPOLBF10TP53
SCHEMBL1126522 0.89 MAPT (0.37) MAPTPOLBF10CHRM3TP53
SCHEMBL1126928 0.89 MAPT (0.39) MAPTPOLBKDM4EF10TP53
SCHEMBL1127171 0.88 POLB (0.42) MAPTPOLBKDM4EUSP2
SCHEMBL1126811 0.87 MAPT (0.36) MAPTPOLBKDM4EF10CHRM3
SCHEMBL1126750 0.87 GAA (0.37) MAPTKDM4ETP53PSMD14USP2
SCHEMBL1126754 0.85 NPY2R (0.45) MAPTPOLBKDM4ETP53
SCHEMBL1994130 0.83 MAPT (0.39) MAPTPOLBKDM4ETP53

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 12 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

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 1696/4885POLB 3827/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885POLB 3827/4885KDM4E 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.