SCHEMBL1126680

SCHEMBL1126680

COCCn1ccc(-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
GLA P06280 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 8/20 0.40
HTT P42858 1/20 0.39
DPP4 P27487 1/20 0.39
CASP1 P29466 4/20 0.38
CASP7 P55210 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NR4A2 P43354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL1127486 0.77 ALDH1A1 (0.42) GLAALDH1A1HPGDLTA4HLMNA
SCHEMBL1126717 0.77 NR4A2 (0.43) KDM4EALDH1A1HTTCASP1CASP7
SCHEMBL1126698 0.75 POLB (0.38) KDM4EALDH1A1HSD17B10HPGDNR4A2
SCHEMBL1127048 0.72 AKR1B1 (0.47) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL1127441 0.71 MAP4K4 (0.40) KDM4EGLAALDH1A1CASP1CASP7
SCHEMBL1126659 0.71 GLA (0.40) KDM4EGLAGAAALDH1A1HTT
SCHEMBL28131241 0.70 ALDH1A1 (0.41) KDM4EGLAALDH1A1HTTHSD17B10
SCHEMBL1127130 0.70 ALDH1A1 (0.41) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL1516128 0.69 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL9401067 0.67 CYP3A4 (0.41) KDM4EGAAALDH1A1HSD17B10MAPT

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 KDM4E 1706/4885GLA 1153/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885GLA 1153/4885GAA 554/4885

“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.