SCHEMBL17217987

SCHEMBL17217987

N#Cc1ccccc1/[C]=N\OCc1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
FFAR1 O14842 1/20 0.40
PLAU P00749 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
CYP19A1 P11511 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALKBH1 Q13686 1/20 0.36
MAOB P27338 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
SCHEMBL17217989 1.00 RAB9A (0.44) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17217997 0.87 KMT2A (0.41) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17218250 0.87 RAB9A (0.43) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17218000 0.87 KMT2A (0.41) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17216418 0.87 RAB9A (0.41) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17215877 0.87 TSHR (0.50) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17215875 0.87 TSHR (0.50) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17217333 0.87 RAB9A (0.41) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17218254 0.87 RAB9A (0.43) RAB9AKMT2ANPC1TDP1HTT
SCHEMBL17216416 0.87 RAB9A (0.41) RAB9AKMT2ANPC1TDP1HTT

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 RAB9A 399/4885KMT2A 2914/4885NPC1 1841/4885

“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.