SCHEMBL1126928

SCHEMBL1126928

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(CC(C)C)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
POLB P06746 2/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
F10 P00742 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
ASAH1 Q13510 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34

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
SCHEMBL1994130 0.94 MAPT (0.39) MAPTPOLBHTR2AHTR2CSLC6A4
SCHEMBL1126921 0.89 MAPT (0.37) MAPTPOLBHTR2AHTR2CSLC6A4
SCHEMBL1126883 0.89 SIGMAR1 (0.38) MAPTPOLBHTR2AHTR2CSLC6A4
SCHEMBL1989043 0.89 MAPT (0.38) MAPTPOLBF10TP53KDM4E
SCHEMBL1126468 0.89 TSHR (0.39) MAPTHTR2AHTR2CSLC6A4LMNA
SCHEMBL1999344 0.88 MAPT (0.41) MAPTPOLBALDH1A1RAB9A
SCHEMBL1126522 0.86 MAPT (0.37) MAPTPOLBF10LMNATP53
SCHEMBL1127171 0.86 POLB (0.42) MAPTPOLBLMNADRD2DRD4
SCHEMBL1126811 0.84 MAPT (0.36) MAPTPOLBF10LMNATP53
SCHEMBL1127002 0.78 AR (0.40) MAPTHTR2AHTR2CSLC6A4LMNA

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 MAPT 1696/4885POLB 3827/4885HTR2A 4641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885POLB 3827/4885HTR2A 4641/4885

“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.