SCHEMBL1126880

SCHEMBL1126880

COC(=O)Cn1cc(-c2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.42
TRPV1 Q8NER1 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
SCHEMBL1126957 0.86 ALDH1A1 (0.50) KDM4ESMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL1126875 0.84 MEN1 (0.51) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL1126839 0.83 ALDH1A1 (0.46) KDM4ESMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL1127844 0.80 KDM4E (0.41) CNR2KDM4ESMN1; SMN2GAACYP1A2
SCHEMBL1126707 0.77 BRD4 (0.42) KDM4EGAACYP2C19ALDH1A1HPGD
SCHEMBL28590805 0.75 KDM4E (0.46) KDM4ESMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL1126684 0.75 KDM4E (0.50) KDM4E
SCHEMBL1126926 0.75 SLC18A3 (0.43) CNR2KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL1126585 0.74 BRD4 (0.42) KDM4ESMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL1127344 0.74 MEN1 (0.42) CNR2KDM4ESMN1; SMN2CYP1A2ALDH1A1

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 CNR2 3554/4885KDM4E 1706/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CNR2 3554/4885KDM4E 1706/4885SMN1; SMN2 2831/4885

“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.