SCHEMBL1127109

SCHEMBL1127109

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DRD4 P21917 1/20 0.45
REV1 Q9UBZ9 1/20 0.44

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
SCHEMBL1126696 0.86 MAPT (0.50) MAPTALDH1A1HTTL3MBTL1MAPK1
SCHEMBL1126487 0.85 MAPT (0.51) MAPTALDH1A1HTTMAPK1TSHR
SCHEMBL1126649 0.84 ALDH1A1 (0.43) MAPTALDH1A1HTTTSHRLMNA
SCHEMBL1126909 0.83 MEN1 (0.41) MAPTALDH1A1HTTTSHRLMNA
SCHEMBL1127203 0.83 NPY2R (0.44) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL1127152 0.83 NAMPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1992485 0.82 ALDH1A1 (0.48) MAPTALDH1A1HTTMAPK1TSHR
SCHEMBL19661313 0.82 GAA (0.42) MAPTALDH1A1HTTATMLMNA
SCHEMBL30235329 0.82 ALDH1A1 (0.48) MAPTALDH1A1HTTMAPK1TSHR
SCHEMBL943058 0.81 MAPT (0.46) MAPTALDH1A1HTTATML3MBTL1

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 16 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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 1696/4885ALDH1A1 219/4885HTT 776/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885HTT 776/4885

“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.