SCHEMBL164477

SCHEMBL164477

CCOC(=O)c1ccnc([O])n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NUDT1 P36639 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.42
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41

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
SCHEMBL159438 0.87 ALDH1A1 (0.46) CYP1A2MAPTALDH1A1KDM4ENPC1
SCHEMBL163252 0.84 TSHR (0.49) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL489624 0.83 CYP1A2 (0.61) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL164480 0.82 ALDH1A1 (0.47) CYP1A2MAPTALDH1A1KDM4ENPC1
SCHEMBL28073188 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL2684912 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL12228832 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL8883554 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL164625 0.80 MAPK1 (0.46) CYP1A2MAPTALDH1A1KDM4ENPC1
SCHEMBL27888086 0.80 CYP1A2 (0.57) CYP1A2MAPTALDH1A1KDM4EHPGD

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 CYP1A2 4010/4885MAPT 261/4885ALDH1A1 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.