SCHEMBL6300609

SCHEMBL6300609

CC(C)COc1ccc(-c2cc([N+](=O)[O-])ccc2Oc2ccc3cc(C#N)ccc3c2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
MAPT P10636 2/20 0.37
TBXA2R P21731 5/20 0.34
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACACB O00763 1/20 0.32
SCN9A Q15858 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6295804 0.87 ALDH1A1 (0.40) MAPTTBXA2RGAASLC6A9KCNH2
SCHEMBL6294722 0.85 PYGL (0.42) PYGLMAPTTBXA2RSCN9AALDH1A1
SCHEMBL6294975 0.84 PYGL (0.42) PYGLMAPTTBXA2RALDH1A1
SCHEMBL6294962 0.84 PYGL (0.40) PYGLMAPTTBXA2RSCN9AALDH1A1
SCHEMBL6294986 0.82 PYGL (0.44) PYGLMAPTTBXA2RGAASLC6A9
SCHEMBL6300708 0.82 MAPT (0.36) PYGLMAPTMAPK1GAAACACB
SCHEMBL6294719 0.80 PYGL (0.44) PYGLMAPTTBXA2RMAPK1GAA
SCHEMBL6294699 0.80 PYGL (0.38) PYGLMAPTTBXA2RMAPK1GAA
SCHEMBL6295779 0.78 MERTK (0.42) PYGLMAPTTBXA2RGAAALDH1A1
SCHEMBL6294688 0.78 PYGL (0.43) PYGLMAPTSCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 PYGL 1434/4885MAPT 4849/4885TBXA2R 10/4885

“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.