SCHEMBL1127188

SCHEMBL1127188

CC(=O)NCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
HTT P42858 2/20 0.40
MTNR1A P48039 5/20 0.39

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 0.81 HPGD (0.41) TP53MAPTNPC1ALDH1A1HSP90AA1
SCHEMBL23488097 0.81 THRB (0.40) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL1990968 0.81 NOTUM (0.35) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL15161860 0.81 LMNA (0.44) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL1127684 0.81 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1993901 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL1126938 0.80 KDM4E (0.43) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL1126982 0.79 TP53 (0.35) TP53KDM4EMEN1KMT2AMAPT
SCHEMBL1126775 0.79 ALDH1A1 (0.40) TP53KDM4EKMT2AALDH1A1
SCHEMBL1127235 0.79 THRB (0.37) KDM4EMEN1KMT2ANPC1ALDH1A1

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 1227/4885KDM4E 1706/4885MEN1 77/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TP53 1227/4885KDM4E 1706/4885MEN1 77/4885

“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.