SCHEMBL1126676

SCHEMBL1126676

CSCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
COMT P21964 1/20 0.35
GRIN2B Q13224 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CNR2 P34972 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1992886 0.83 BRD4 (0.40) BRD4COMTGRIN2BALDH1A1KDM4E
SCHEMBL1126585 0.79 BRD4 (0.42) BRD4COMTGRIN2BALDH1A1KDM4E
SCHEMBL1126694 0.79 BRD4 (0.42) BRD4COMTALDH1A1KDM4EGLA
SCHEMBL1126839 0.79 ALDH1A1 (0.46) BRD4ALDH1A1KDM4EGAAHPGD
SCHEMBL1126929 0.76 TYR (0.46) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1126628 0.76 CCNC (0.46) BRD4HPGDCCNCCDK8MMP2
SCHEMBL1126778 0.76 TSHR (0.40) BRD4ALDH1A1KDM4ECNR2MAPT
SCHEMBL1127073 0.75 BRD4 (0.42) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1127094 0.74 TYR (0.49) BRD4ALDH1A1KDM4EHPGDCNR2
SCHEMBL1126880 0.73 CNR2 (0.48) ALDH1A1KDM4EGLAGAAHPGD

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 3630/4885COMT 2812/4885GRIN2B 2399/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885COMT 2812/4885GRIN2B 2399/4885

“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.