SCHEMBL1127152

SCHEMBL1127152

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
MAPT P10636 9/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
SLC1A2 P43004 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL1127203 0.86 NPY2R (0.44) MAPTNPSR1ALDH1A1POLBLMNA
SCHEMBL1126696 0.86 MAPT (0.50) MAPTNPSR1KDM4EALDH1A1POLB
SCHEMBL1126487 0.85 MAPT (0.51) MAPTNPSR1ALDH1A1POLBLMNA
SCHEMBL1127109 0.83 MAPT (0.52) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL1126664 0.83 NPY2R (0.45) NAMPTMAPTNPSR1ALDH1A1POLB
SCHEMBL1992485 0.82 ALDH1A1 (0.48) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL19661313 0.82 GAA (0.42) MAPTNPSR1ALDH1A1POLBLMNA
SCHEMBL30235329 0.82 ALDH1A1 (0.48) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL1991472 0.81 KCNH2 (0.44) MAPTNPSR1KDM4EALDH1A1POLB
SCHEMBL1126909 0.81 MEN1 (0.41) MAPTNPSR1ALDH1A1POLBLMNA

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 NAMPT 1025/4885MAPT 1696/4885NPSR1 227/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NAMPT 1025/4885MAPT 1696/4885NPSR1 227/4885

“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.