SCHEMBL17030100

SCHEMBL17030100

N=C(N)NCCCSCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL17029969 0.87 TSHR (0.46) TDP1MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17022783 0.85 TSHR (0.44) TDP1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL17029970 0.85 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17030102 0.83 TSHR (0.43) TDP1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10728146 0.83 SMN1; SMN2 (0.53) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17030101 0.79 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17472392 0.79 CYP1A2 (0.41) TDP1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10311296 0.78 TSHR (0.53) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL17030156 0.77 KMT2A (0.50) TDP1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1176598 0.77

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-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD NISSAN FOODS HOLDINGS CO., LTD. (JP) 2015-09-10 US disclosed
EP-2910130-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD Nissin Foods Holdings Co., Ltd. (JP) 2015-08-26 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-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD TAS2R8, TAS2R13, TAS2R38 TDP1 3258/4885MEN1 957/4885CYP1A2 4676/4885

“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.