SCHEMBL6300708

SCHEMBL6300708

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.35
RAD51 Q06609 1/20 0.35
PYGL P06737 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP2 P08253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.34
GAA P10253 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MERTK Q12866 1/20 0.32
TLR9 Q9NR96 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
SCHEMBL6296041 0.82 ALDH1A1 (0.43) MAPTALDH1A1RAD51PYGLLMNA
SCHEMBL6300609 0.82 PYGL (0.38) MAPTMAPK1ALDH1A1PYGLACACB
SCHEMBL6300666 0.82 ALDH1A1 (0.43) MAPTALDH1A1RAD51PYGLLMNA
SCHEMBL6300791 0.82 MAPT (0.40) MAPTMAPK1ALDH1A1RAD51PYGL
SCHEMBL6300671 0.75 PYGL (0.38) MAPTALDH1A1RAD51PYGLLMNA
SCHEMBL8486260 0.75 BRD4 (0.43) MAPTMAPK1ALDH1A1RAD51PYGL
SCHEMBL6294697 0.73 LMNA (0.52) MAPTALDH1A1RAD51PYGLLMNA
SCHEMBL17654333 0.72 SLC6A2 (0.52) MAPTALDH1A1LMNAMMP2ACACB
SCHEMBL6294688 0.72 PYGL (0.43) MAPTALDH1A1PYGLLMNAMEN1
SCHEMBL6300744 0.71 EPAS1 (0.44) MAPTALDH1A1RAD51PYGLLMNA

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 MAPT 4849/4885MAPK1 750/4885ALDH1A1 1785/4885

“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.