SCHEMBL6294692

SCHEMBL6294692

CC(C)(C)OC(=O)c1cc(N)ccc1Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TBXA2R P21731 5/20 0.39
GPR119 Q8TDV5 1/20 0.38
FPR2 P25090 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MMP2 P08253 4/20 0.37
AR P10275 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MMP3 P08254 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL6295761 0.96 PARP15 (0.42) SCN9APARP15PARP10PARP2TBXA2R
SCHEMBL6296004 0.88 SCN9A (0.40) SCN9ATBXA2RGPR119AR
SCHEMBL6294685 0.84 EPAS1 (0.43) SCN9ATBXA2RARKDM4E
SCHEMBL6296045 0.83 MERTK (0.42) TBXA2R
SCHEMBL6294668 0.83 SCN9A (0.42) SCN9APARP15PARP10PARP2TBXA2R
SCHEMBL6294983 0.79 SCN9A (0.47) SCN9APARP15PARP10PARP2
SCHEMBL6294985 0.79 SCN9A (0.39) SCN9ATBXA2RGPR119SCN8ASCN10A
SCHEMBL6294749 0.79 MERTK (0.45) TBXA2R
SCHEMBL6294968 0.78 PPARD (0.43)
SCHEMBL6295767 0.75 SCN9A (0.42) SCN9ATBXA2R

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 1786/4885PARP15 2077/4885PARP10 1736/4885

“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.