SCHEMBL17614548

SCHEMBL17614548

Cc1cccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 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
SCHEMBL17614594 0.94 SLC22A12 (0.36) SLC22A12MAOAMAOBFFAR1ALDH1A1
SCHEMBL17614619 0.93 MAOA (0.44) SLC22A12MAOAMAOBALDH1A1HTT
SCHEMBL17614557 0.93 GRIN1 (0.36) SLC22A12MAOAMAOBFFAR1RAB9A
SCHEMBL16206150 0.93 SLC22A12 (0.41) SLC22A12MAOAMAOBFFAR1MAPT
SCHEMBL16205967 0.93 SLC22A12 (0.42) SLC22A12FFAR1ALDH1A1KMT2AHPGD
SCHEMBL16206146 0.92 SLC22A12 (0.42) SLC22A12MAOBFFAR1RAB9ASMN1; SMN2
SCHEMBL16442779 0.90 FFAR1 (0.37) SLC22A12MAOAMAOBFFAR1ALDH1A1
SCHEMBL17614580 0.90 FFAR1 (0.35) SLC22A12MAOAMAOBFFAR1ALDH1A1
SCHEMBL16205998 0.90 SLC22A12 (0.40) SLC22A12MAOBFFAR1RAB9ASMN1; SMN2
SCHEMBL16205940 0.89 SLC16A3 (0.37) SLC22A12MAOBFFAR1RAB9ANPSR1

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-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 SLC22A12 3344/4885MAOA 1051/4885MAOB 1360/4885

“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.