SCHEMBL1126775

SCHEMBL1126775

COCCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
PTGER4 P35408 1/20 0.37
HPGD P15428 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
TP53 P04637 1/20 0.36
MITF O75030 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL1127780 0.96 KDM4E (0.39) ALDH1A1TDP1KMT2ATRPV4KDM4E
SCHEMBL1127378 0.94 HPGD (0.41) ALDH1A1TDP1GAAHPGDTP53
SCHEMBL1127595 0.88 KDM4E (0.39) ALDH1A1KMT2AKDM4EL3MBTL1GAA
SCHEMBL15161860 0.85 LMNA (0.44) ALDH1A1KMT2AKDM4EHPGD
SCHEMBL1126904 0.85 PPARG (0.35) ALDH1A1KMT2AKDM4EGAAPTGER4
SCHEMBL1126938 0.84 KDM4E (0.43) ALDH1A1TDP1KMT2AKDM4EGAA
SCHEMBL1127235 0.83 THRB (0.37) ALDH1A1TDP1KMT2AKDM4EGAA
SCHEMBL1126982 0.83 TP53 (0.35) ALDH1A1TDP1KMT2AKDM4EGAA
SCHEMBL1127123 0.83 ALDH1A1 (0.40) ALDH1A1TDP1KMT2AGAAHPGD
SCHEMBL23488097 0.81 THRB (0.40) ALDH1A1KMT2AKDM4EL3MBTL1GAA

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 ALDH1A1 219/4885TDP1 903/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885TDP1 903/4885KMT2A 3996/4885

“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.