SCHEMBL17986232

SCHEMBL17986232

C/[C]=N\OCc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MAOB P27338 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CYP2A13 Q16696 1/20 0.36
CTBP2 P56545 1/20 0.35
NOTUM Q6P988 1/20 0.35
CHRM2 P08172 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ACHE P22303 2/20 0.34
KMT2A Q03164 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL17986233 1.00 TAAR1 (0.39) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17218766 0.85 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17218768 0.85 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL27832510 0.83 MAOB (0.41) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17218722 0.81 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17218725 0.81 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17217143 0.80 MAOB (0.36) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17217140 0.80 MAOB (0.36) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17217447 0.80 MAOB (0.40) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL17217383 0.80 TSHR (0.38) TAAR1MAOBADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US 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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 TAAR1 299/4885MAOB 2207/4885ADRA2A 2022/4885

“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.