SCHEMBL1126692

SCHEMBL1126692

Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.57
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
ADRB1 P08588 1/20 0.50
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL1018875 0.83 SIRT6 (0.54) SIRT6POLBMAPTLMNAMEN1
SCHEMBL942805 0.82 SIRT6 (0.56) SIRT6POLBMAPTLMNAMEN1
SCHEMBL22495369 0.80 SIRT6 (0.50) SIRT6POLBMAPTLMNAMEN1
SCHEMBL2233842 0.80 MEN1 (0.59) SIRT6POLBMAPTLMNAMEN1
SCHEMBL943495 0.79 LMNA (0.58) SIRT6POLBMAPTLMNAMEN1
SCHEMBL15271381 0.78 SIRT6 (0.81) SIRT6POLBMAPTLMNAMEN1
SCHEMBL6151230 0.78 SIRT6 (0.81) SIRT6POLBMAPTLMNAMEN1
SCHEMBL942358 0.78 MAPT (0.54) SIRT6POLBMAPTLMNAMEN1
SCHEMBL1126465 0.78 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1646189 0.77 MEN1 (0.61) SIRT6POLBMAPTLMNAMEN1

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 1262/4885HTR3E 4498/4885HTR3B 4650/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIRT6 1262/4885HTR3E 4498/4885HTR3B 4650/4885

“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.