SCHEMBL164480

SCHEMBL164480

CC(C)COC(=O)c1ccnc([O])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
JMJD6 Q6NYC1 1/20 0.44
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.37
LMNA P02545 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL24150702 0.83 ALDH1A1 (0.46) ALDH1A1TSHRJMJD6CYP1A2L3MBTL1
SCHEMBL164477 0.82 CYP1A2 (0.61) ALDH1A1TSHRCYP1A2MAPTKDM4E
SCHEMBL159438 0.79 ALDH1A1 (0.46) ALDH1A1TSHRJMJD6CYP1A2L3MBTL1
SCHEMBL163592 0.79 ALDH1A1 (0.47) ALDH1A1JMJD6L3MBTL1LMNAMAPT
SCHEMBL162570 0.78 ALDH1A1 (0.47) ALDH1A1TSHRJMJD6L3MBTL1PLA2G1B
SCHEMBL163684 0.77 GABRA1 (0.44) ALDH1A1CYP1A2L3MBTL1LMNAMAPT
SCHEMBL163252 0.77 TSHR (0.49) ALDH1A1TSHRCYP1A2L3MBTL1LMNA
SCHEMBL164625 0.76 MAPK1 (0.46) ALDH1A1CYP1A2L3MBTL1MAPTSMN1; SMN2
SCHEMBL27276662 0.76 ALDH1A1 (0.49) ALDH1A1TSHRJMJD6PLA2G1BATG4B
SCHEMBL162505 0.75 ALDH1A1 (0.47) ALDH1A1TSHRJMJD6L3MBTL1LMNA

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 ALDH1A1 1667/4885TSHR 4862/4885JMJD6 2475/4885

“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.