SCHEMBL1126796

SCHEMBL1126796

COC(=O)Cn1ccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RCE1 Q9Y256 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1126874 0.84 CA12 (0.52) KDM4ESMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL13692017 0.81 AKR1B1 (0.45) CNR2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL1126991 0.81 AKR1B1 (0.61) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL1126717 0.78 NR4A2 (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL27582586 0.77 SMN1; SMN2 (0.52) CNR2KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL21233125 0.76 CA12 (0.42) KDM4ESMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL1127117 0.74 KDM4E (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1126880 0.73 CNR2 (0.48) CNR2KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1126792 0.72 RAB9A (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL22951294 0.72 CA12 (0.40) KDM4ESMN1; SMN2ALDH1A1KMT2ALMNA

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.