SCHEMBL2008495

SCHEMBL2008495

Cc1ccccc1-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
HTT P42858 4/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 2/20 0.60
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
CCR6 P51684 1/20 0.60
TSHR P16473 3/20 0.57
HSP90AA1 P07900 1/20 0.57
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HSD11B1 P28845 1/20 0.44
KCNN4 O15554 1/20 0.42
P2RX7 Q99572 2/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.81 ALDH1A1 (0.62) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2843430 0.81 ALDH1A1 (0.53) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2008843 0.81 ALDH1A1 (0.62) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2005964 0.80 ALDH1A1 (0.60) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL13354146 0.80 ALDH1A1 (0.52) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2005884 0.80 KCNN4 (0.56) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2846682 0.79 ALDH1A1 (0.46) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL2009714 0.78 ALDH1A1 (0.57) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL13322089 0.77 ALDH1A1 (0.66) ALDH1A1HTTMAPTTSHRLMNA
SCHEMBL2851627 0.76 ALDH1A1 (0.43) ALDH1A1HTTMAPTHPGDCACNA1B

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 3743/4885HTT 3686/4885MAPT 1629/4885

“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.