SCHEMBL2161237

SCHEMBL2161237

O=c1[nH]nnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
CYP1A2 P05177 2/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.47
NOTUM Q6P988 2/20 0.47
AR P10275 1/20 0.46
CTSK P43235 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL17708113 0.85 CTSK (0.42) HTTCYP1A2KMT2AMEN1POLB
SCHEMBL2161149 0.84 HTT (0.42) HTTCYP1A2KMT2AMEN1POLB
SCHEMBL2161285 0.81 ATM (0.47) HTTGAAMAPTTDP1L3MBTL1
SCHEMBL16297129 0.80 IDO1 (0.47) KMT2AMEN1POLBGAAMAPT
SCHEMBL5906108 0.79 PIM1 (0.43) HTTPOLBL3MBTL1NOTUM
SCHEMBL5906049 0.79 HTT (0.38) HTTCYP1A2KMT2AMEN1GAA
SCHEMBL22563995 0.78 HTT (0.39) HTTCYP1A2KMT2AMEN1POLB
SCHEMBL17946058 0.78 NOTUM (0.42) HTTCYP1A2KMT2APOLBGAA
SCHEMBL3239509 0.78 IDO1 (0.46) HTTCYP1A2GAAALDH1A1NOTUM
SCHEMBL18504904 0.77 HTT (0.38) HTTCYP1A2L3MBTL1NOTUM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 HTT 1370/4885CYP1A2 607/4885KMT2A 53/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HTT 3414/4885CYP1A2 168/4885KMT2A 657/4885

“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.