SCHEMBL1126536

SCHEMBL1126536

CCOC(=O)c1cc(-c2ccccc2)cn1CCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.42
CNR2 P34972 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
P2RY12 Q9H244 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15162603 0.87 GABRA2 (0.45) CNR1GABRA2GABRB2CYP1A2CYP2C9
SCHEMBL1127347 0.85 CNR1 (0.50) CNR1ALDH1A1CNR2HPGDCYP2C19
SCHEMBL1126573 0.85 ALDH1A1 (0.49) SMN1; SMN2POLBALDH1A1NPSR1GABRA2
SCHEMBL1126890 0.84 KDM4E (0.45) CNR1SMN1; SMN2POLBALDH1A1CNR2
SCHEMBL1126661 0.81 P2RY12 (0.51) SMN1; SMN2POLBALDH1A1NPSR1P2RY12
SCHEMBL1126490 0.77 CNR1 (0.42) CNR1SMN1; SMN2ALDH1A1CNR2NPSR1
SCHEMBL2806317 0.77 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1NPSR1GABRA2
SCHEMBL1126990 0.76 CNR1 (0.45) CNR1SMN1; SMN2ALDH1A1CNR2NPSR1
SCHEMBL1126922 0.74 MAPT (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL1126514 0.74 ALDH1A1 (0.41) CNR1POLBALDH1A1CNR2HPGD

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 CNR1 1131/4885SMN1; SMN2 2831/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CNR1 1131/4885SMN1; SMN2 2831/4885POLB 3827/4885

“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.