SCHEMBL6580423

SCHEMBL6580423

C=C(C)C(OC(=O)OC(C(=C)C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NOS1 P29475 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
SCHEMBL6580429 0.89 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL16405327 0.84 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL28970498 0.78 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11592383 0.77 NPC1 (0.50) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL29171849 0.76 NPC1 (0.50) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL19031542 0.76 KMT2A (0.52) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL2387750 0.76 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11027105 0.74 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL25331852 0.73 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL27937254 0.73 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1HPGD

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
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 — — EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 — — US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 — — US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 — — US 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MAPT 4837/4885KMT2A 4730/4885MEN1 1630/4885

“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.

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