SCHEMBL166777

SCHEMBL166777

CCCNC(=O)c1ccccc1[O]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HCRTR1 O43613 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
HPGD P15428 2/20 0.54
NAAA Q02083 1/20 0.53
POLB P06746 2/20 0.52
MAOB P27338 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL164069 0.89 TSHR (0.80) TSHRHTTALDH1A1HCRTR1L3MBTL1
SCHEMBL163076 0.85 L3MBTL1 (0.57) TSHRHTTALDH1A1HCRTR1L3MBTL1
SCHEMBL8014368 0.83 ALDH1A1 (0.56) TSHRHTTALDH1A1HCRTR1HPGD
SCHEMBL1238119 0.81 NAAA (0.76) TSHRHTTALDH1A1GAAL3MBTL1
SCHEMBL461599 0.81 HPGD (0.64) TSHRHTTALDH1A1L3MBTL1HPGD
SCHEMBL29315265 0.81 TSHR (0.68) TSHRHTTALDH1A1GAAHCRTR1
SCHEMBL10158103 0.81 HTT (0.68) TSHRHTTALDH1A1GAAL3MBTL1
SCHEMBL31686014 0.81 HPGD (0.64) TSHRHTTALDH1A1L3MBTL1HPGD
SCHEMBL1063005 0.80 TSHR (0.66) TSHRHTTALDH1A1GAAHCRTR1
SCHEMBL7220254 0.80 TSHR (0.61) TSHRHTTALDH1A1GAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885HTT 72/4885ALDH1A1 1667/4885

“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.