SCHEMBL1128005

SCHEMBL1128005

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY2R P49146 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
TP53 P04637 2/20 0.33
PHGDH O43175 1/20 0.33
CACNA1G O43497 2/20 0.33
EGFR P00533 1/20 0.33
CCKAR P32238 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1126811 0.91 MAPT (0.36) MAPTTP53PHGDHCHRM3
SCHEMBL1126838 0.91 MAPT (0.38) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1126471 0.89 LMNA (0.38) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1126371 0.89 MAPT (0.39) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1993424 0.87 SLC2A1 (0.37) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1127012 0.86 NPC1 (0.40) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1993703 0.84 LMNA (0.37) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1127036 0.84 LMNA (0.37) MAPTMEN1ALDH1A1KMT2ANPY2R
SCHEMBL1127059 0.82 MAPT (0.36) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL1127558 0.81 ALDH1A1 (0.37) MAPTMEN1ALDH1A1KMT2A

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 14 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
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 1696/4885MEN1 77/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885MEN1 77/4885ALDH1A1 219/4885

“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.