SCHEMBL1127116

SCHEMBL1127116

CCOC(=O)n1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1126712 0.88 HTT (0.39) LMNAALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL1127237 0.85 ALDH1A1 (0.49) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL23488097 0.80 THRB (0.40) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL1127423 0.80 TSHR (0.39) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL1126731 0.79 MMP1 (0.41) ALDH1A1SMN1; SMN2GABRA2GABRB2MEN1
SCHEMBL1126938 0.79 KDM4E (0.43) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL1127595 0.76 KDM4E (0.39) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL1993901 0.76 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL1127378 0.75 HPGD (0.41) LMNAALDH1A1SMN1; SMN2GAANPC1
SCHEMBL1127235 0.75 THRB (0.37) LMNAALDH1A1SMN1; SMN2GAAKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3641/4885ALDH1A1 219/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 LMNA 3641/4885ALDH1A1 219/4885SMN1; SMN2 2831/4885

“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.