SCHEMBL163979

SCHEMBL163979

CCOC(=O)c1cc([O])cnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRA1 P14867 6/20 0.41
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA5 P31644 6/20 0.41
GABRA3 P34903 6/20 0.41
GABRA2 P47869 6/20 0.41
GABRA4 P48169 6/20 0.41
GABRA6 Q16445 6/20 0.41
GABRP O00591 5/20 0.41
GABRD O14764 5/20 0.41
GABRB1 P18505 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRE P78334 5/20 0.41
GABRG1 Q8N1C3 5/20 0.41
GABRG3 Q99928 5/20 0.41
GABRQ Q9UN88 5/20 0.41
ALDH1A1 P00352 6/20 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
SCHEMBL160890 0.87 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19GABRA1GABRG2
SCHEMBL25986847 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19GABRA1GABRG2
SCHEMBL164195 0.84 ESR1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL162646 0.82 TSHR (0.44) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL12228822 0.81 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19GABRA1GABRG2
SCHEMBL160894 0.80 MAPK1 (0.42) CYP1A2CYP2C19GABRA1GABRG2GABRB3
SCHEMBL3737810 0.80 HPGD (0.45) CYP1A2CYP2C9CYP2C19GABRA2GABRB2
SCHEMBL165489 0.78 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17591804 0.76 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19GABRA1GABRG2
SCHEMBL160044 0.76 CA12 (0.41) ALDH1A1MAPTNPC1MEN1KMT2A

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 4010/4885CYP2C9 3870/4885CYP2C19 4178/4885

“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.