SCHEMBL164287

SCHEMBL164287

CCOC(=O)c1cncc([O])n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL163670 0.86 ALDH1A1 (0.45) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL4338257 0.84 CYP1A2 (0.55) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL162976 0.83 L3MBTL1 (0.49) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL158283 0.81 ALDH1A1 (0.45) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL12228820 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL3697022 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL8884008 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL31249971 0.81 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL162103 0.79 MRGPRX4 (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL14825220 0.78 CYP1A2 (0.49) CYP1A2CYP2C19CYP2C9ALDH1A1MAPT

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 4010/4885CYP2C19 4178/4885CYP2C9 3870/4885

“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.