SCHEMBL1127777

SCHEMBL1127777

CCn1ccc2c(F)c([N+](=O)[O-])ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP19A1 P11511 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
VCAM1 P19320 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL34473038 0.80 GAA (0.46) MAPTLMNAKMT2AATMTDP1
SCHEMBL21461564 0.80 GAA (0.46) MAPTLMNAKMT2AATMTDP1
SCHEMBL3690450 0.78 GAA (0.49) MAPTLMNAKMT2AMEN1TDP1
SCHEMBL29581400 0.75 NOTUM (0.48) MAPTKMT2AMEN1ATMTDP1
SCHEMBL307944 0.73 GAA (0.34) MAPTLMNAKMT2AMEN1TDP1
SCHEMBL23397300 0.72 HTR2C (0.37) CYP19A1HTR2AHTR2CCSNK1D
SCHEMBL1126913 0.72 HTR2A (0.39) CYP19A1HTR2AHTR2CCSNK1D
SCHEMBL29176018 0.72 TDP1 (0.37) MAPTLMNAKMT2AMEN1ATM
SCHEMBL16312602 0.71 MAPT (0.42) MAPTLMNAKMT2AMEN1ATM
SCHEMBL31431068 0.69 MAPT (0.38) MAPTLMNAKMT2AMEN1ALDH1A1

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 MAPT 1696/4885LMNA 3641/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885LMNA 3641/4885KMT2A 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.