SCHEMBL6294688

SCHEMBL6294688

COC(=O)c1cc(C(=O)NCC(C)C)ccc1-c1cc([N+](=O)[O-])ccc1Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.43
LMNA P02545 3/20 0.42
F3 P13726 5/20 0.38
F2 P00734 4/20 0.38
F7 P08709 4/20 0.38
F10 P00742 3/20 0.38
PLG P00747 3/20 0.38
SCN9A Q15858 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6300656 0.87 F3 (0.42) F3F2F7F10PLG
SCHEMBL6300738 0.84 F3 (0.41) F3F2F7F10PLG
SCHEMBL6300609 0.78 PYGL (0.38) PYGLSCN9AMAPTALDH1A1
SCHEMBL6295760 0.77 F3 (0.43) F3F2F7F10PLG
SCHEMBL6300657 0.74 PYGL (0.52) PYGLSMN1; SMN2
SCHEMBL6294962 0.73 PYGL (0.40) PYGLLMNASCN9AMAPTALDH1A1
SCHEMBL6294722 0.73 PYGL (0.42) PYGLLMNASCN9AMAPTALDH1A1
SCHEMBL6294975 0.72 PYGL (0.42) PYGLLMNAF10MAPTALDH1A1
SCHEMBL6300708 0.72 MAPT (0.36) PYGLLMNASCN9AMAPTALDH1A1
SCHEMBL6300732 0.71 F3 (0.46) F3F2F7F10PLG

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
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
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 1434/4885LMNA 1305/4885F3 56/4885

“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.