SCHEMBL1989595

SCHEMBL1989595

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.64
POLB P06746 1/20 0.59
MAPT P10636 7/20 0.58
LMNA P02545 3/20 0.57
ALDH1A1 P00352 5/20 0.55
ADRB1 P08588 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.51
AKR1C3 P42330 1/20 0.50

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
SCHEMBL374834 0.87 SIRT6 (0.68) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL4252494 0.84 SIRT6 (0.64) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL6992319 0.84 SIRT6 (0.64) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL15271381 0.83 SIRT6 (0.81) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL6151230 0.83 SIRT6 (0.81) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL27583941 0.82 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL27583942 0.82 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL5744480 0.82 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL1045279 0.80 SIRT6 (0.62) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL4822111 0.79 MAPT (0.56) SIRT6POLBMAPTLMNAALDH1A1

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 7 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

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

“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.