SCHEMBL1126785

SCHEMBL1126785

CCOC(=O)Cn1cc(I)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PIN1 Q13526 1/20 0.38
PIN4 Q9Y237 1/20 0.38
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL32675941 0.79 ALDH1A1 (0.47) ALDH1A1GSK3AGSK3BKMT2AMITF
SCHEMBL1126803 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTLMNAL3MBTL1
SCHEMBL28850677 0.74 ALDH1A1 (0.53) ALDH1A1GSK3AGSK3BKMT2AMAPT
SCHEMBL5693218 0.70 ALDH1A1 (0.52) ALDH1A1GSK3AGSK3BKMT2AMAPT
SCHEMBL15919718 0.70 GSK3A (0.45) ALDH1A1GSK3AGSK3BKMT2AMAPT
SCHEMBL29277418 0.68 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTLMNAL3MBTL1
SCHEMBL5062694 0.68 LMNA (0.46) ALDH1A1KMT2ALMNAMEN1
SCHEMBL27077700 0.68 ALDH1A1 (0.47) ALDH1A1GSK3AGSK3BKMT2AMITF
SCHEMBL24479732 0.67 ALDH1A1 (0.62) ALDH1A1KMT2AMITFMAPTLMNA
SCHEMBL3575382 0.67 LMNA (0.43) ALDH1A1KMT2ALMNAPOLBKDM4E

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 ALDH1A1 219/4885GSK3A 3436/4885GSK3B 3639/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885GSK3A 3436/4885GSK3B 3639/4885

“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.