SCHEMBL163036

SCHEMBL163036

CCCCNC(=O)c1ccnnc1[O]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 2/20 0.50
NAAA Q02083 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL163082 0.91 POLB (0.49) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL165748 0.84 L3MBTL1 (0.41) TSHRHTTHPGDL3MBTL1LMNA
SCHEMBL161560 0.79 HTT (0.66) TSHRHTTHPGDNAAASMN1; SMN2
SCHEMBL162468 0.77 KMT2A (0.45) TSHRHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL15799161 0.74 HTT (0.50) TSHRHTTHPGDNAAASMN1; SMN2
SCHEMBL9275061 0.74 TSHR (0.54) TSHRHTTHPGDNAAASMN1; SMN2
SCHEMBL19210845 0.73 TSHR (1.00) TSHRHTTHPGDNAAASMN1; SMN2
SCHEMBL161246 0.73 MEN1 (0.53) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL158281 0.73 TSHR (0.57) TSHRHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17438478 0.73 TSHR (0.57) TSHRHTTHPGDNAAASMN1; SMN2

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.