SCHEMBL2006114

SCHEMBL2006114

ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 1.00
HTT P42858 4/20 1.00
HPGD P15428 3/20 1.00
MAPT P10636 3/20 1.00
CACNA1B Q00975 2/20 1.00
APBA1 Q02410 2/20 1.00
CCR6 P51684 1/20 1.00
HSP90AA1 P07900 1/20 0.69
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL4407371 0.89 ALDH1A1 (0.79) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2002688 0.85 ALDH1A1 (0.73) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4408152 0.85 ALDH1A1 (0.74) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2005150 0.83 MAPT (0.72) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL10977161 0.82 ALDH1A1 (0.70) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2003891 0.81 ALDH1A1 (1.00) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2010483 0.81 ALDH1A1 (0.70) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4408113 0.81 ALDH1A1 (0.68) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4407904 0.81 ALDH1A1 (0.68) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2006912 0.80 ALDH1A1 (0.67) ALDH1A1HTTHPGDMAPTCACNA1B

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 4 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-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 3743/4885HTT 3686/4885HPGD 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.