SCHEMBL163351

SCHEMBL163351

CCNC(=O)c1ccoc1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 1/20 0.43
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL161521 0.86 ALDH1A1 (0.55) CYP2C19TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL163379 0.83 ALDH1A1 (0.64) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13753343 0.81 TSHR (0.72) CYP2C19TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL158846 0.81 GAA (0.54) CYP2C19TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL166344 0.79 GAA (0.42) CYP2C19TSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL162769 0.76 MEN1 (0.55) TSHRALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL163478 0.74 POLB (0.45) TSHRALDH1A1SMN1; SMN2KMT2APOLB
Dimethylamine SCHEMBL7879579 0.72 CYP2C19 (0.46) CYP2C19TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL31483721 0.71 HTT (0.64) TSHRALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL17748296 0.71 LMNA (0.47) TSHRLMNAKMT2APOLBTDP1

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 CYP2C19 4178/4885TSHR 4862/4885ALDH1A1 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.