SCHEMBL1127344

SCHEMBL1127344

COC(=O)n1cc(-c2ccccc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 4/20 0.40
KDM4E B2RXH2 4/20 0.40
NR4A2 P43354 1/20 0.40
HSD17B10 Q99714 5/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.38
LPO P22079 2/20 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
SCHEMBL1126744 0.85 ALDH1A1 (0.45) MEN1KMT2AHPGDKDM4ECYP3A4
SCHEMBL1126880 0.74 CNR2 (0.48) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL20569871 0.70 BCHE (0.39) MEN1KMT2AHSD17B10USP2CYP3A4
SCHEMBL20568595 0.70 BCHE (0.40) MEN1KMT2AHSD17B10USP2CYP3A4
SCHEMBL19063822 0.69 LDHA (0.42) KDM4ENR4A2HSD17B10ALDH1A1MAPK1
SCHEMBL1126839 0.69 ALDH1A1 (0.46) MEN1KMT2AHPGDKDM4EHSD17B10
Biphenyl SCHEMBL3255863 0.69 TSHR (0.54) KMT2AALDH1A1CYP1A2PKMEGFR
SCHEMBL7209262 0.68 KMT2A (0.47) MEN1KMT2AKDM4EHSD17B10CYP3A4
Biphenyl SCHEMBL27677322 0.67 TSHR (0.52) KMT2AALDH1A1CYP1A2PKMEGFR
Biphenyl SCHEMBL27819830 0.67 SMN1; SMN2 (0.56) KMT2AKDM4EHSD17B10ALDH1A1EGFR

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 MEN1 77/4885KMT2A 3996/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885HPGD 2971/4885

“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.