SCHEMBL162691

SCHEMBL162691

CCCNC(=O)c1cccnc1[O]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HCRTR1 O43613 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.46
RIPK1 Q13546 1/20 0.46
MEN1 O00255 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL161560 0.91 HTT (0.66) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL164540 0.87 CHIA (0.56) TSHRHTTHPGDHCRTR1KDM4E
SCHEMBL11538362 0.83 PRKCI (0.55) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL31432092 0.81 KDM4E (0.62) TSHRHTTHPGDALDH1A1KDM4E
SCHEMBL6360387 0.80 GAA (0.57) TSHRHTTHPGDGAAKMT2A
SCHEMBL164226 0.79 POLB (0.50) TSHRHTTHPGDALDH1A1HSD17B10
SCHEMBL24484638 0.78 TSHR (0.45) TSHRHTTHPGDALDH1A1KDM4E
SCHEMBL16749021 0.78 KDM4E (0.51) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL161745 0.78 GAA (0.48) TSHRALDH1A1KDM4EGAAL3MBTL1
SCHEMBL163082 0.77 POLB (0.49) TSHRHTTHPGDALDH1A1KDM4E

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.