SCHEMBL17217997

SCHEMBL17217997

N#Cc1ccccc1CO/N=[C]\c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 2/20 0.35
TSHR P16473 1/20 0.34
CYP19A1 P11511 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL17218000 1.00 KMT2A (0.41) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17219033 0.88 IDO1 (0.42) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17219035 0.88 IDO1 (0.42) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17217989 0.87 RAB9A (0.44) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17217987 0.87 RAB9A (0.44) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17219190 0.87 IDO1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17219192 0.87 IDO1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17215883 0.84 HTR2A (0.34) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17215884 0.84 HTR2A (0.34) KMT2ARAB9AMEN1TDP1NPC1
SCHEMBL17218304 0.83 IDO1 (0.36) ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 KMT2A 2914/4885RAB9A 399/4885MEN1 1163/4885

“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.