SCHEMBL1127558

SCHEMBL1127558

CCOCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 6/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 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
SCHEMBL1127217 0.95 LMNA (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1126633 0.95 MAPT (0.36) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL1126471 0.92 LMNA (0.38) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL1126636 0.92 GRIN2D (0.38) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL1126732 0.91 MAPT (0.38) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1126481 0.91 KCNA5 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1127916 0.91 MAPT (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1126434 0.91 MAPT (0.39) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL1996170 0.90 KMT2A (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1993424 0.90 SLC2A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 14 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

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 ALDH1A1 219/4885SMN1; SMN2 2831/4885GRIN2D 2613/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885SMN1; SMN2 2831/4885GRIN2D 2613/4885

“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.