SCHEMBL1126837

SCHEMBL1126837

CCc1cc(-c2ccccc2)cn1COC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
CNR1 P21554 1/20 0.32
GRIK2 Q13002 2/20 0.32
HPGD P15428 1/20 0.32
RCE1 Q9Y256 1/20 0.32
LMNA P02545 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CREBBP Q92793 1/20 0.32
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL1127167 0.87 BRD4 (0.37) BRD4KDM4EHSD17B10ALDH1A1GLA
SCHEMBL1126777 0.85 COMT (0.38) BRD4KDM4EHSD17B10ALDH1A1GLA
SCHEMBL1127170 0.84 CNR1 (0.43) BRD4ALDH1A1GLACNR1HPGD
SCHEMBL28329745 0.78 CCNC (0.43) BRD4HPGDLMNACREBBPMAPT
SCHEMBL1127225 0.74 CCNC (0.41) BRD4KDM4EHSD17B10ALDH1A1GFER
SCHEMBL1127393 0.73 BRD4 (0.50) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126922 0.72 MAPT (0.43) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL16588812 0.70 CCNC (0.38) BRD4KDM4EHSD17B10ALDH1A1GLA
SCHEMBL1988726 0.70 CCNC (0.40) BRD4KDM4EHSD17B10ALDH1A1GLA
SCHEMBL1990116 0.69 BRD4 (0.46) BRD4KDM4EHSD17B10ALDH1A1GLA

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 BRD4 3630/4885KDM4E 1706/4885HSD17B10 2503/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885KDM4E 1706/4885HSD17B10 2503/4885

“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.