SCHEMBL1980747

SCHEMBL1980747

CCOC(=O)c1ccc2cc(C(=O)OCC)n(CC(C)(C)CNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 2/20 0.40
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1978900 0.82 MEN1 (0.40) MEN1KMT2AF10NOD2NOD1
SCHEMBL1977977 0.82 MEN1 (0.39) MEN1KMT2AF10NOD2NOD1
SCHEMBL1987423 0.81 CYP1A2 (0.36) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL12598985 0.80 MEN1 (0.38) MEN1KMT2AF10NOD2NOD1
SCHEMBL1979107 0.80 SMN1; SMN2 (0.42) MEN1KMT2AF10NOD2NOD1
SCHEMBL1978852 0.79 ATM (0.39) MEN1KMT2AF10KDM4ESMN1; SMN2
SCHEMBL1979993 0.78 KDM4E (0.41) MEN1KMT2AF10NOD2NOD1
SCHEMBL1980013 0.78 SERPINE1 (0.40) MEN1KMT2AF10NOD2NOD1
SCHEMBL1983809 0.78 ALDH1A1 (0.37) MEN1KMT2AF10NOD2NOD1
SCHEMBL12598646 0.77 SERPINE1 (0.39) MEN1KMT2AF10NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 MEN1 3774/4885KMT2A 3498/4885F10 4514/4885

“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.