SCHEMBL1126982

SCHEMBL1126982

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1CCOC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
NOTUM Q6P988 1/20 0.33
NR4A2 P43354 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
THRB P10828 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1127378 0.86 HPGD (0.41) TP53TDP1MAPTLMNAGAA
SCHEMBL15161860 0.85 LMNA (0.44) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL1126938 0.84 KDM4E (0.43) TDP1LMNAGAATHRBTSHR
SCHEMBL1127235 0.83 THRB (0.37) TDP1NOTUMARLMNAGAA
SCHEMBL1126775 0.83 ALDH1A1 (0.40) TP53TDP1GAAKMT2AKDM4E
SCHEMBL1990353 0.82 MEN1 (0.44) MAPTARTSHRMEN1KMT2A
SCHEMBL1127780 0.82 KDM4E (0.39) TP53TDP1POLBGAAKMT2A
SCHEMBL1127595 0.81 KDM4E (0.39) MAPTLMNAGAATSHRMEN1
SCHEMBL23488097 0.81 THRB (0.40) MAPTPOLBNOTUMARGAA
SCHEMBL1990968 0.81 NOTUM (0.35) MAPTNOTUMARGAATHRB

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 TP53 1227/4885TDP1 903/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TP53 1227/4885TDP1 903/4885MAPT 1696/4885

“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.