SCHEMBL1126955

SCHEMBL1126955

COCC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
SIRT6 Q8N6T7 2/20 0.56
POLB P06746 1/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL5744480 0.85 SIRT6 (0.60) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL374834 0.81 SIRT6 (0.68) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL91107 0.80 ALDH1A1 (0.50) MAPTPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL7760522 0.79 SIRT6 (0.54) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL28879244 0.79 SIRT6 (0.54) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL1991688 0.79 MAPT (0.50) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL1989595 0.79 SIRT6 (0.64) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL6992319 0.79 SIRT6 (0.64) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL4252494 0.79 SIRT6 (0.64) MAPTSIRT6POLBALDH1A1LMNA
SCHEMBL5743491 0.78 SIRT6 (0.63) MAPTSIRT6POLBALDH1A1LMNA

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 1696/4885SIRT6 1262/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885SIRT6 1262/4885POLB 3827/4885

“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.