SCHEMBL8090774

SCHEMBL8090774

Oc1ccn(-c2ccc(C(F)(F)F)cn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 2/20 0.42
ABL1 P00519 1/20 0.42
MAPT P10636 8/20 0.41
HTT P42858 3/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15670374 0.81 NOTUM (0.42) KDM4ELMNAABL1MAPTHTT
SCHEMBL22925925 0.81 MAPT (0.40) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL29559433 0.81 MAPT (0.40) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL17772773 0.81 MAPT (0.47) KDM4ELMNAABL1MAPTHTT
SCHEMBL14152508 0.79 KMT2A (0.45) KDM4ELMNAABL1MAPTHTT
SCHEMBL6035500 0.78 KDM4E (0.42) KDM4ELMNAABL1MAPTHTT
SCHEMBL6034678 0.77 CASR (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28835086 0.76 UBE2N (0.46) MAPTHTTNPSR1ALDH1A1TDP1
SCHEMBL6034479 0.74 CASR (0.41) KDM4ELMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL3923978 0.74 HTT (0.44) KDM4ELMNAMAPTHTTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
EP-3112350-B1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9624177-B2 Method for producing pyrazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-18 US disclosed
US-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-12 US disclosed
EP-3112350-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-01-04 EP disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
EP-3029038-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-06-08 EP disclosed
EP-3029038-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-06-08 EP disclosed
WO-2015016335-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2007063031-A2 STABILIZED POLYMERIZABLE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 WO disclosed
EP-0680954-B1 Process of preparation of 1-(Het)aryl-3-hydroxy pyrazoles BASF AG (DE) 2000-11-22 EP disclosed
US-5559244-A Preparation of 1-(het) aryl-3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
EP-0680954-A2 Process of preparation of 1-(Het)aryl-3-hydroxy pyrazoles BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 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-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND CBR3, POR, CBR1 KDM4E 4569/4885LMNA 3854/4885ABL1 1980/4885
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, KCNA5, MT-CO2 KDM4E 2475/4885LMNA 4264/4885ABL1 349/4885

“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.