SCHEMBL159506

SCHEMBL159506

CCCCNC(=O)c1ccc2c(ccc3ccccc32)c1[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 4/20 0.51
NCEH1 Q6PIU2 1/20 0.48
NAAA Q02083 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
ALOX15 P16050 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
SCHEMBL161649 0.93 TSHR (0.62) TSHRHTTHPGDNCEH1NAAA
SCHEMBL163761 0.92 EPHX1 (0.48) TSHRHTTHPGDL3MBTL1MEN1
SCHEMBL160720 0.86 KMT2A (0.46) HTTHPGDL3MBTL1MEN1KMT2A
SCHEMBL165470 0.85 EPHX1 (0.51) TSHRHTTHPGDL3MBTL1MEN1
SCHEMBL162557 0.84 TSHR (0.57) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL7514107 0.83 HTT (0.64) TSHRHTTHPGDNCEH1NAAA
SCHEMBL8377480 0.82 NAAA (0.60) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL28994964 0.81 TSHR (0.60) TSHRHTTHPGDNCEH1NAAA
SCHEMBL1093718 0.80 TSHR (0.73) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL30301313 0.80 TSHR (0.73) TSHRHTTHPGDNAAAL3MBTL1

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.