SCHEMBL2008502

SCHEMBL2008502

FC(F)(F)c1cccc(C2(C(Cl)(Cl)C3(c4cccc(C(F)(F)F)c4)N=NN=N3)N=NN=N2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
SLC6A4 P31645 3/20 0.44
PNMT P11086 1/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
OPRL1 P41146 2/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KCNN4 O15554 2/20 0.37
CCR2 P41597 1/20 0.37
IDO1 P14902 1/20 0.37
NOTUM Q6P988 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL4593654 0.80 MAOA (0.40) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL4593190 0.69 SLC6A3 (0.33) SLC6A4SLC6A3SLC6A2IDO1
SCHEMBL1420518 0.68 KDM1A (0.59) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
Hydrochloric Acid SCHEMBL3001569 0.67 KDM1A (0.57) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL10548675 0.67 KDM1A (0.45) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL28045910 0.67 KDM1A (0.49) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL62723 0.66 TSHR (0.67) KDM1APNMTTSHRMAPK1TAAR1
SCHEMBL18769566 0.66 SLC6A4 (0.58) KDM1ASLC6A4SLC6A3SLC6A2KCNN4
SCHEMBL11227961 0.65 TSHR (0.54) KDM1APNMTTSHRMAPK1TAAR1
SCHEMBL7759984 0.65 TSHR (0.54) KDM1ATSHRMAPK1TAAR1IDO1

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 8 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
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 claimed
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 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 KDM1A 1371/4885SLC6A4 3773/4885PNMT 3115/4885

“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.