SCHEMBL1127104

SCHEMBL1127104

Cc1c(F)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 0.44
HSD11B1 P28845 1/20 0.37
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 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
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
AKT1 P31749 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
SCHEMBL1994403 0.86 TSHR (0.40) BRD4CREBBPHSD11B1
SCHEMBL1126708 0.76 BRD4 (0.47) BRD4CREBBPCYP2A6CYP2B6BRD9
SCHEMBL1992653 0.73 CNR1 (0.44) BRD4ALDH1A1HPGD
SCHEMBL28634946 0.69 BRD4 (0.45) BRD4CREBBPKDM4EALDH1A1SMN1; SMN2
SCHEMBL20844013 0.66
SCHEMBL15856371 0.66 PDCD1 (0.45) CYP2A6CYP2B6ALDH1A1CYP1A2HPGD
SCHEMBL15856382 0.66 METAP2 (0.46) CYP2A6CYP2B6ALDH1A1SMN1; SMN2PTGS1
SCHEMBL1310255 0.65 IMPDH2 (0.64) BRD4KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10533047 0.65 ALOX5AP (0.53) CYP2A6ALDH1A1CYP1A2HPGDMAPT
SCHEMBL6334276 0.64 BRD4 (1.00) BRD4BRD9BRD7

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 4702/4885HSD11B1 1173/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CREBBP 4702/4885HSD11B1 1173/4885

“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.