SCHEMBL1126487

SCHEMBL1126487

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
ALDH1A1 P00352 6/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
CHRNA7 P36544 2/20 0.49
DGAT1 O75907 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
RAB9A P51151 5/20 0.47
ALOX12 P18054 1/20 0.47
NPC1 O15118 3/20 0.46
EPHX1 P07099 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46

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 0.90 MAPT (0.50) MAPTALDH1A1POLBGAAHTT
SCHEMBL1992161 0.86 MAPT (0.44) MAPTALDH1A1POLBGAAHSD17B10
SCHEMBL1127152 0.85 NAMPT (0.53) MAPTALDH1A1POLBNPSR1LMNA
SCHEMBL1127203 0.85 NPY2R (0.44) MAPTALDH1A1POLBGAAHSD17B10
SCHEMBL1127109 0.85 MAPT (0.52) MAPTALDH1A1GAAHSD17B10HTT
SCHEMBL1992485 0.84 ALDH1A1 (0.48) MAPTALDH1A1GAAHSD17B10HTT
SCHEMBL30235329 0.84 ALDH1A1 (0.48) MAPTALDH1A1GAAHSD17B10HTT
SCHEMBL19661313 0.84 GAA (0.42) MAPTALDH1A1POLBGAAHSD17B10
SCHEMBL1126909 0.83 MEN1 (0.41) MAPTALDH1A1POLBGAAHSD17B10
SCHEMBL1991472 0.83 KCNH2 (0.44) MAPTALDH1A1POLBGAAHSD17B10

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 MAPT 1696/4885ALDH1A1 219/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885POLB 3827/4885

“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.