SCHEMBL2006994

SCHEMBL2006994

FC(F)Oc1ccc(-n2nnnc2C(Cl)(Cl)c2nnnn2-c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
HSP90AA1 P07900 3/20 0.59
CACNA1B Q00975 2/20 0.59
APBA1 Q02410 2/20 0.59
CCR6 P51684 2/20 0.58
RXRA P19793 7/20 0.40
GRIN1 Q05586 7/20 0.40
GRIN2B Q13224 7/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
SCN5A Q14524 1/20 0.37
PRMT1 Q99873 3/20 0.36
TP53 P04637 1/20 0.35
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL2005885 0.80 ALDH1A1 (0.69) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL2002688 0.78 ALDH1A1 (0.73) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL15169286 0.77 ALDH1A1 (0.59) HPGDHTTALDH1A1HSP90AA1CCR6
SCHEMBL2005150 0.76 MAPT (0.72) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL2010483 0.74 ALDH1A1 (0.70) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL2003891 0.74 ALDH1A1 (1.00) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL2006114 0.74 ALDH1A1 (1.00) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL4202175 0.73 PRMT1 (0.49) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL4195952 0.71 NPSR1 (0.48) HPGDHTTALDH1A1MAPTHSP90AA1
SCHEMBL3421220 0.71 ALDH1A1 (0.56) HPGDHTTALDH1A1MAPTHSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 EP claimed
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-11-13 US claimed
US-7964625-B2 Antibiotics comprising bis(1-aryl-5-tetrazoly1)methane derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2011-06-21 US disclosed
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 EP disclosed
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-11-13 US disclosed
EP-1769796-A1 Novel antibiotics comprising bis(1-aryl-5-tetrazolyl)methane derivatives Nederlandse Organisatie voor toegepast-natuurwetenschappelijk Onderzoek TNO (NL) 2007-04-04 EP 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 (1 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-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 HPGD 4361/4885HTT 3686/4885ALDH1A1 3743/4885

“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.