SCHEMBL1127345

SCHEMBL1127345

CC(Cc1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
MAPT P10636 6/20 0.48
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
ESRRG P62508 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HTR6 P50406 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1989885 0.82 MAPT (0.46) MAPTESRRGLMNAALDH1A1POLB
SCHEMBL1646672 0.79 POLB (0.57) SIRT6POLB
SCHEMBL5744480 0.79 SIRT6 (0.60) SIRT6MAPTKCNJ1KCNH2LMNA
SCHEMBL1644607 0.77 HTR1A (0.54) SIRT6MAPTKCNJ1KCNH2POLB
SCHEMBL1126955 0.75 MAPT (0.57) SIRT6MAPTLMNAALDH1A1POLB
SCHEMBL374834 0.75 SIRT6 (0.68) SIRT6MAPTESRRGLMNAALDH1A1
SCHEMBL3482783 0.74 ALDH1A1 (0.60) SIRT6MAPTKCNJ1KCNH2ESRRG
SCHEMBL28879244 0.73 SIRT6 (0.54) SIRT6MAPTESRRGLMNAALDH1A1
SCHEMBL7760522 0.73 SIRT6 (0.54) SIRT6MAPTLMNAALDH1A1POLB
SCHEMBL6992319 0.73 SIRT6 (0.64) SIRT6MAPTLMNAALDH1A1POLB

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 SIRT6 1262/4885MAPT 1696/4885KCNJ1 1791/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIRT6 1262/4885MAPT 1696/4885KCNJ1 1791/4885

“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.