SCHEMBL1126980

SCHEMBL1126980

Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1.Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
HTR6 P50406 2/20 0.45
MAPT P10636 6/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT6 Q8N6T7 4/20 0.44
PHGDH O43175 3/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL942935 1.00 HPGD (0.46) HPGDHTR6MAPTTHRBSMN1; SMN2
SCHEMBL1019705 0.88 HPGD (0.61) HPGDHTR6MAPTSIRT6ALDH1A1
SCHEMBL942120 0.86 MAPT (0.63) HPGDHTR6MAPTSIRT6ALDH1A1
SCHEMBL942805 0.81 SIRT6 (0.56) MAPTSMN1; SMN2SIRT6ALDH1A1LMNA
SCHEMBL1019837 0.79 MAPT (0.46) MAPTSMN1; SMN2PHGDHL3MBTL1LMNA
SCHEMBL943495 0.78 LMNA (0.58) MAPTSMN1; SMN2SIRT6ALDH1A1LMNA
SCHEMBL520215 0.78 SIRT6 (0.69) HTR6MAPTSIRT6ALDH1A1L3MBTL1
SCHEMBL1019935 0.77 PHGDH (0.64) HPGDMAPTSMN1; SMN2PHGDHALDH1A1
SCHEMBL1646658 0.76 KMT2A (0.47) HPGDMAPTSMN1; SMN2PHGDHALDH1A1
SCHEMBL4723486 0.75 L3MBTL1 (0.51) HPGDHTR6MAPTSIRT6ALDH1A1

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 8 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-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 HPGD 2971/4885HTR6 4673/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HPGD 2971/4885HTR6 4673/4885MAPT 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.