SCHEMBL1127844

SCHEMBL1127844

COC(=O)Cn1cc(-c2ccccc2)cc1C(=O)C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1988726 0.84 CCNC (0.40) KDM4ESMN1; SMN2GAAMAPTCNR2
SCHEMBL1126880 0.80 CNR2 (0.48) KDM4ESMN1; SMN2GAAMAPTCNR2
SCHEMBL1126958 0.76 ALDH1A1 (0.40) KDM4ECNR2ALDH1A1HTTPOLB
SCHEMBL1126823 0.75 KDM4E (0.41) KDM4ESMN1; SMN2GAAMAPTALDH1A1
SCHEMBL15162305 0.74 KDM4E (0.46) KDM4ESMN1; SMN2GAAMAPTCNR2
SCHEMBL1989510 0.70 CNR1 (0.41) KDM4EGAAMAPTCNR2ALDH1A1
SCHEMBL1126922 0.70 MAPT (0.43) KDM4ESMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1127225 0.69 CCNC (0.41) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL1126957 0.68 ALDH1A1 (0.50) KDM4ESMN1; SMN2GAAMAPTALDH1A1
SCHEMBL989437 0.68 CCNC (0.49) MAPTCNR2ALDH1A1KMT2AMEN1

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 KDM4E 1706/4885SMN1; SMN2 2831/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885SMN1; SMN2 2831/4885GAA 554/4885

“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.