SCHEMBL657923

SCHEMBL657923

CCOC(=O)CC(C[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
F2 P00734 3/20 0.43
F10 P00742 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 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
SCHEMBL20475361 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL1269176 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL482069 0.86 MAPT (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL9294262 0.86 F2 (0.50) MAPTLMNAKDM4EF2F10
SCHEMBL10637253 0.86 ALDH1A1 (0.43) MAPTLMNAALDH1A1HPGDGABBR2
SCHEMBL31115525 0.85 F2 (0.47) MAPTLMNAKDM4EF2F10
SCHEMBL1269160 0.85 ALOX15 (0.46) MAPTLMNAKDM4EF2F10
SCHEMBL563397 0.85 F10 (0.43) MAPTLMNAKDM4EF2F10
SCHEMBL9706451 0.84 MAPT (0.44) MAPTLMNAKDM4EF2F10
SCHEMBL10642667 0.83 KDM4E (0.44) MAPTLMNAKDM4EF2F10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAPT 964/4885LMNA 3119/4885KDM4E 1893/4885

“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.