SCHEMBL1126539

SCHEMBL1126539

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(-c3ncc(CN4CCCCC4)o3)cc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.40
MOK Q9UQ07 1/20 0.39
CHRNA7 P36544 3/20 0.38
KCNH2 Q12809 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
MCHR1 Q99705 2/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 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
SCHEMBL1127168 0.84 CHRNA7 (0.39) TRPV1MOKCHRNA7KCNH2SMN1; SMN2
SCHEMBL1126696 0.76 MAPT (0.50) SMN1; SMN2KDM4EMEN1NPC1ALDH1A1
SCHEMBL1127228 0.76 FAAH (0.40) SMN1; SMN2NPC1ALDH1A1HTTMAPT
SCHEMBL1127110 0.75 L3MBTL1 (0.46) TRPV1KCNH2MCHR1KDM4EMAPT
SCHEMBL1127109 0.73 MAPT (0.52) SMN1; SMN2MEN1NPC1ALDH1A1KMT2A
SCHEMBL1126649 0.72 ALDH1A1 (0.43) MOKSMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL1126487 0.72 MAPT (0.51) CHRNA7SMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL1126812 0.71 ALDH1A1 (0.48) SMN1; SMN2KDM4EMEN1NPC1ALDH1A1
SCHEMBL19661313 0.71 GAA (0.42) MEN1NPC1ALDH1A1KMT2AHSD17B10
SCHEMBL1127172 0.70 NPY2R (0.45) SMN1; SMN2KDM4EMEN1NPC1ALDH1A1

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 TRPV1 3569/4885MOK 4625/4885CHRNA7 4810/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TRPV1 3569/4885MOK 4625/4885CHRNA7 4810/4885

“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.