SCHEMBL13382007

SCHEMBL13382007

CN(C)C(=O)Sc1nsc(OCc2c(F)cccc2F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
ALKBH1 Q13686 1/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
GUCY1B2 O75343 5/20 0.32
GUCY1A2 P33402 5/20 0.32
GUCY1A1 Q02108 5/20 0.32
GUCY1B1 Q02153 5/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.31
MMP1 P03956 2/20 0.31

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
SCHEMBL13381967 0.87 MAOB (0.41) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL13381997 0.86 NPSR1 (0.39) KMT2ALTB4RLTB4R2ALDH1A1TDP1
SCHEMBL13382022 0.85
SCHEMBL13381961 0.83 PTGS1 (0.44) SCN9A
SCHEMBL13381962 0.82 TDP1 (0.39) KMT2AMEN1ALDH1A1TDP1
SCHEMBL13382094 0.82 ALOX5 (0.39) LTB4RLTB4R2ALDH1A1
SCHEMBL13382008 0.82 MAOB (0.42) KMT2AMEN1
SCHEMBL13382005 0.81 ALKBH1 (0.36) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL13382011 0.80 MAOB (0.35) KMT2AMEN1ALDH1A1
SCHEMBL5378284 0.80 TDP1 (0.39) KMT2AMEN1NPC1RAB9AALDH1A1

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 KMT2A 4087/4885MEN1 4525/4885NPC1 4179/4885

“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.