SCHEMBL2007003

SCHEMBL2007003

Clc1cccc(-n2nnnc2C(Cl)(Cl)c2nnnn2-c2cccc(Cl)c2Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
CACNA1B Q00975 2/20 0.54
APBA1 Q02410 2/20 0.54
CCR6 P51684 1/20 0.54
P2RX7 Q99572 18/20 0.51
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL2013210 0.87 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2005923 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL3287971 0.80 P2RX7 (0.55) P2RX7
SCHEMBL242375 0.78 P2RX7 (0.54) P2RX7
SCHEMBL1493397 0.77 P2RX7 (0.52) P2RX7
SCHEMBL242376 0.77 P2RX7 (0.52) P2RX7
SCHEMBL2008495 0.75 ALDH1A1 (0.60) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2005964 0.75 ALDH1A1 (0.60) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2009714 0.73 ALDH1A1 (0.57) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2005884 0.72 KCNN4 (0.56) ALDH1A1MAPTHPGDHTTCACNA1B

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 ALDH1A1 3743/4885MAPT 1629/4885HPGD 4361/4885

“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.