SCHEMBL6300730

SCHEMBL6300730

Cc1c(C(=O)NCC(C)C)ccc(-c2cc(N)ccc2Oc2ccc3cc(C#N)ccc3c2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.40
TP53 P04637 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PYGL P06737 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PYGM P11217 1/20 0.33
FFAR1 O14842 2/20 0.33
TBXA2R P21731 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33

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 0.81 F3 (0.42) SCN9ATP53EGLN1F2F10
SCHEMBL6300732 0.75 F3 (0.46) SCN9AF2F10PLGF7
SCHEMBL6295804 0.70 ALDH1A1 (0.40) SCN9AFFAR1TBXA2R
SCHEMBL6300738 0.69 F3 (0.41) SCN9ATP53EGLN1F2F10
SCHEMBL6294688 0.69 PYGL (0.43) SCN9APYGLF2F10PLG
SCHEMBL6295767 0.69 SCN9A (0.42) SCN9ATBXA2R
SCHEMBL6294691 0.66 SCN9A (0.41) SCN9ATBXA2R
SCHEMBL6294985 0.66 SCN9A (0.39) SCN9APYGLPYGMTBXA2R
SCHEMBL6296053 0.66 AR (0.39) SCN9ATBXA2R
SCHEMBL6295040 0.65 BRD4 (0.43) SCN9A

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 SCN9A 1786/4885TP53 4417/4885MAOA 1520/4885

“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.