SCHEMBL1127203

SCHEMBL1127203

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(C(C)C(C)C)CC3)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CCR3 P51677 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESRRG P62508 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL1127152 0.86 NAMPT (0.53) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL1126664 0.86 NPY2R (0.45) NPY2RNPC1RAB9AGAAALDH1A1
SCHEMBL1126696 0.86 MAPT (0.50) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL1126487 0.85 MAPT (0.51) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL1127163 0.83 MAPT (0.41) NPY2RNPC1RAB9AGAAALDH1A1
SCHEMBL1127109 0.83 MAPT (0.52) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL1992485 0.82 ALDH1A1 (0.48) GAAALDH1A1MAPTHSD17B10NPSR1
SCHEMBL19661313 0.82 GAA (0.42) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL30235329 0.82 ALDH1A1 (0.48) GAAALDH1A1MAPTHSD17B10NPSR1
SCHEMBL1126909 0.81 MEN1 (0.41) NPY2RNPC1RAB9AGAAALDH1A1

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 NPY2R 1755/4885NPC1 491/4885RAB9A 729/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPY2R 1755/4885NPC1 491/4885RAB9A 729/4885

“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.