SCHEMBL659487

SCHEMBL659487

[CH2]Cc1ncccc1CC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR1A P08908 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL242311 0.85 GABRA1 (0.41) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL25385979 0.83 GABRA1 (0.39) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL5786722 0.83 GABRA1 (0.39) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28665184 0.81 GABRA1 (0.38) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL20831662 0.79 GABRA1 (0.37) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL13964173 0.79 GRM5 (0.41) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL14389054 0.79 GABRA1 (0.37) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL5115647 0.79 L3MBTL1 (0.55) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL17778287 0.79 DPP4 (0.40) GABRA1GABRB2L3MBTL1ALDH1A1KDM4E
SCHEMBL659977 0.78

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US 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 (2 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA GABRA1 1539/4885GABRB2 1264/4885L3MBTL1 4709/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD GABRA1 66/4885GABRB2 106/4885L3MBTL1 3923/4885

“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.