SCHEMBL164518

SCHEMBL164518

CCCCNC(=O)c1csnc1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
NAAA Q02083 3/20 0.44
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
NR5A2 O00482 1/20 0.43

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
SCHEMBL162580 0.90 HPGD (0.46) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL161552 0.83 KMT2A (0.40) TSHRHTTHPGDL3MBTL1CA2
SCHEMBL163649 0.77 HTT (0.46) TSHRHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL14811748 0.75 TSHR (0.71) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL10244651 0.74 HTT (0.51) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL165450 0.73 TSHR (0.54) TSHRHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL163915 0.73 TSHR (0.54) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL162023 0.73 TSHR (0.54) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL163036 0.72 TSHR (0.57) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL161560 0.72 HTT (0.66) TSHRHTTHPGDSMN1; SMN2NAAA

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 72/4885HPGD 2718/4885

“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.