SCHEMBL1127357

SCHEMBL1127357

Cc1cc(-c2ccccc2)cn1CCOC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM1A O60341 1/20 0.34
CNR1 P21554 1/20 0.33
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NR4A2 P43354 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
HDAC1 Q13547 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1126990 0.83 CNR1 (0.45) BRD4TDP1CNR1ALDH1A1KDM4E
SCHEMBL1127015 0.80 RAB9A (0.49) ALDH1A1MAPTNPC1RAB9A
SCHEMBL1126844 0.80 KDM4E (0.46) BRD4TP53CNR1ALDH1A1KDM4E
SCHEMBL1127040 0.79 ALDH1A1 (0.38) BRD4TP53CNR1ALDH1A1KDM4E
SCHEMBL1126929 0.77 TYR (0.46) BRD4ALDH1A1KDM4EGAAGLA
SCHEMBL1127089 0.77 GLO1 (0.42) BRD4TDP1CNR1ALDH1A1NPC1
SCHEMBL1126926 0.77 SLC18A3 (0.43) BRD4CNR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1127207 0.76 GLO1 (0.39) BRD4TP53TDP1CNR1ALDH1A1
SCHEMBL1127073 0.76 BRD4 (0.42) BRD4ALDH1A1KDM4EGAAGLA
SCHEMBL1126694 0.76 BRD4 (0.42) BRD4ALDH1A1KDM4EGAAGLA

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 BRD4 3630/4885TP53 1227/4885TDP1 903/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885TP53 1227/4885TDP1 903/4885

“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.