SCHEMBL2003891

SCHEMBL2003891

Cc1ccc(-n2nnnc2C(Cl)(Cl)c2nnnn2-c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
MAPT P10636 5/20 1.00
HPGD P15428 3/20 1.00
HTT P42858 3/20 1.00
CACNA1B Q00975 2/20 1.00
APBA1 Q02410 2/20 1.00
HSP90AA1 P07900 2/20 1.00
CCR6 P51684 1/20 0.69
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 1/20 0.56
NLRP1 Q9C000 1/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2005150 0.84 MAPT (0.72) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL12775381 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL5551503 0.82 ALDH1A1 (0.70) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2010483 0.82 ALDH1A1 (0.70) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2006114 0.81 ALDH1A1 (1.00) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2005885 0.81 ALDH1A1 (0.69) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2004336 0.81 ALDH1A1 (0.69) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2006912 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2008843 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2002688 0.76 ALDH1A1 (0.73) 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
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-1937257-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-07-02 EP disclosed
WO-2007037685-A1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2007-04-05 WO 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.