SCHEMBL1979107

SCHEMBL1979107

CCOC(=O)c1ccc2cc(C(=O)OCC)n(CCC(C)(C)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
F10 P00742 2/20 0.40
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL1979993 0.82 KDM4E (0.41) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL1980747 0.80 MEN1 (0.41) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL1978900 0.78 MEN1 (0.40) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL1977977 0.78 MEN1 (0.39) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL4911401 0.77 NPC1 (0.45) SMN1; SMN2MEN1KMT2AF10MAPT
SCHEMBL12598732 0.77 KDM4E (0.51) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL12598985 0.76 MEN1 (0.38) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL27414449 0.76 NOD2 (0.46) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL4907499 0.75 NPC1 (0.45) SMN1; SMN2MEN1KMT2AF10MAPT
SCHEMBL24187458 0.75 MTNR1A (0.46) SMN1; SMN2KDM4ECRHBPCRHR2MEN1

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 SMN1; SMN2 1941/4885KDM4E 2778/4885CRHBP 1018/4885

“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.