SCHEMBL2051081

SCHEMBL2051081

CCCCCn1nnnc1Cc1nnnn1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL4405197 0.88 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4410772 0.86 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4405575 0.86 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4406845 0.86 SLC9A1 (0.44) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL4403827 0.86 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4403652 0.85 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL2095843 0.85 SLC9A1 (0.40) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4414808 0.85 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4407183 0.85 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTALDH1A1
SCHEMBL4413951 0.85 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTCYP2C19

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 13 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
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-20100130509-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWE- TENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-05-27 US disclosed
EP-2139872-A1 NOVEL ANTIBIOTICS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2010-01-06 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
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
WO-2008120992-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-10-09 WO disclosed
EP-1978021-A1 Novel antibiotics Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-10-08 EP 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
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 (2 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-20100130509-A1 NOVEL ANTIBIOTICS TMEM165, LAS1L, RPS2 SLC9A1 2269/4885KMT2A 3035/4885MEN1 623/4885
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 SLC9A1 3480/4885KMT2A 2575/4885MEN1 1009/4885

“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.