SCHEMBL1126750

SCHEMBL1126750

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2F)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
MCL1 Q07820 1/20 0.36
PSMD14 O00487 1/20 0.36
USP2 O75604 1/20 0.36
MMP2 P08253 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1992161 0.90 MAPT (0.44) GAANPSR1MAPTALDH1A1RAB9A
SCHEMBL1989043 0.87 MAPT (0.38) TP53MAPTPSMD14USP2MMP2
SCHEMBL1126560 0.86 SIGMAR1 (0.40) NPSR1MAPTALDH1A1RAB9AUSP2
SCHEMBL1127042 0.86 POLB (0.45) GAANPSR1TP53MAPTALDH1A1
SCHEMBL1127002 0.86 AR (0.40) GAANPSR1MAPTALDH1A1RAB9A
SCHEMBL1126468 0.86 TSHR (0.39) NPSR1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL30234914 0.86 POLB (0.45) GAANPSR1TP53MAPTALDH1A1
SCHEMBL1126696 0.85 MAPT (0.50) GAANPSR1TP53MAPTALDH1A1
SCHEMBL1127172 0.82 NPY2R (0.45) GAAMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL1999344 0.78 MAPT (0.41) GAANPSR1MAPTALDH1A1RAB9A

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 13 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
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 GAA 554/4885NPSR1 227/4885TP53 1227/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GAA 554/4885NPSR1 227/4885TP53 1227/4885

“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.