SCHEMBL17030102

SCHEMBL17030102

N=C(N)NCCSCCCO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL17029969 0.87 TSHR (0.46) TSHRHIF1AMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL17022783 0.85 TSHR (0.44) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL17030100 0.83 TDP1 (0.42) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL17029972 0.81 TSHR (0.32) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL17029960 0.80
SCHEMBL10728146 0.78 SMN1; SMN2 (0.53) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL17030149 0.77 TSHR (0.46) TSHRHIF1ACYP1A2KMT2AALOX15
SCHEMBL1176598 0.77
SCHEMBL17029970 0.77 MEN1 (0.42) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL17030101 0.75 MEN1 (0.46) TSHRHIF1AMEN1CYP1A2KMT2A

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 TSHR 1281/4885HIF1A 2719/4885MEN1 957/4885

“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.