SCHEMBL1126708

SCHEMBL1126708

Cc1c(Br)c(-c2ccccc2)cn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
CREBBP Q92793 4/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1127104 0.76 BRD4 (0.47) BRD4CREBBPALDH1A1CYP2A6CYP2B6
SCHEMBL28634946 0.69 BRD4 (0.45) BRD4CREBBPALDH1A1SMN1; SMN2KDM4E
SCHEMBL24837105 0.68 CREBBP (0.52) BRD4CREBBPALDH1A1MAPK1BRD9
SCHEMBL18862017 0.66
SCHEMBL9092790 0.66 GSK3B (0.49) BRD4ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL27380250 0.66 ALDH1A1 (0.46) ALDH1A1MAPK1CYP2A6CYP2B6SMN1; SMN2
SCHEMBL1310255 0.65 IMPDH2 (0.64) BRD4ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL25862086 0.65 ALDH1A1 (0.57) ALDH1A1MAPK1CYP2A6CYP2B6NPC1
SCHEMBL6334276 0.64 BRD4 (1.00) BRD4BRD9BRD7
SCHEMBL29610117 0.64 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2A6CYP2B6SMN1; SMN2

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 3630/4885CREBBP 4702/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CREBBP 4702/4885ALDH1A1 219/4885

“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.