SCHEMBL6294689

SCHEMBL6294689

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TBXA2R P21731 7/20 0.42
EPAS1 Q99814 3/20 0.41
LMNA P02545 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
VEGFA P15692 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
EYA2 O00167 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6294986 0.89 PYGL (0.44) PYGLMEN1KMT2ATBXA2RLMNA
SCHEMBL6294749 0.88 MERTK (0.45) PYGLMEN1KMT2ATBXA2RALDH1A1
SCHEMBL6296045 0.85 MERTK (0.42) PYGLMEN1KMT2ATBXA2RALDH1A1
SCHEMBL6294685 0.83 EPAS1 (0.43) TBXA2REPAS1VEGFAKDM4E
SCHEMBL6294719 0.80 PYGL (0.44) PYGLMEN1KMT2ATBXA2RLMNA
SCHEMBL6294722 0.79 PYGL (0.42) PYGLMEN1KMT2ATBXA2RLMNA
SCHEMBL6294975 0.78 PYGL (0.42) PYGLMEN1KMT2ATBXA2RLMNA
SCHEMBL6295779 0.78 MERTK (0.42) PYGLMEN1KMT2ATBXA2RALDH1A1
SCHEMBL2749527 0.76 MEN1 (0.58) MEN1KMT2AEPAS1LMNAALDH1A1
SCHEMBL4466094 0.76 ALDH1A1 (0.50) MEN1KMT2ATBXA2RLMNAALDH1A1

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 1434/4885MEN1 882/4885KMT2A 3579/4885

“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.