SCHEMBL1127446

SCHEMBL1127446

COC(=O)Cn1ccc(-c2cccs2)c1C(=O)C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 5/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
THRB P10828 2/20 0.35
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL1127699 0.84 ALDH1A1 (0.44) MIFKDM4EALDH1A1MAPTTP53
SCHEMBL15162305 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1990193 0.72 KDM4E (0.37) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1126556 0.68 PTGDR (0.39) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL1126823 0.68 KDM4E (0.41) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1126717 0.67 NR4A2 (0.43) MIFKDM4EALDH1A1MAPTPOLB
SCHEMBL1127037 0.67 BAZ2B (0.40) MIFKDM4EALDH1A1MAPTPOLB
SCHEMBL3886429 0.65 BAZ2B (0.50) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1127046 0.65 CNR1 (0.46) KDM4EALDH1A1MAPK1TDP1GAA
SCHEMBL11080802 0.65 NPC1 (0.44) MIFKDM4EALDH1A1MAPTTP53

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 8 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
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 MIF 3008/4885KDM4E 1706/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MIF 3008/4885KDM4E 1706/4885ALDH1A1 219/4885

“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.