SCHEMBL17215664

SCHEMBL17215664

C=Cc1ccccc1CO/N=[C]\c1cccc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ENPP2 Q13822 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17215666 1.00 ADRA2C (0.34) ADRA2CNPC1RAB9AMEN1KMT2A
SCHEMBL17217533 0.88 NPC1 (0.39) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL17217530 0.88 NPC1 (0.39) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL17216461 0.85 ALDH1A1 (0.32)
SCHEMBL17216460 0.85 ALDH1A1 (0.32)
SCHEMBL17219001 0.85 LMNA (0.32) KMT2AGAA
SCHEMBL17219003 0.85 LMNA (0.32) KMT2AGAA
SCHEMBL17218205 0.85 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL17219403 0.85 TP53 (0.34) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17216678 0.85 MAPT (0.33)

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 ADRA2C 2647/4885NPC1 1841/4885RAB9A 399/4885

“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.