SCHEMBL14904451

SCHEMBL14904451

CCOC(=O)c1cc2ccc(C(C)=O)cc2n1CC1(CNC)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
F10 P00742 3/20 0.38
NOD2 Q9HC29 2/20 0.37
NOD1 Q9Y239 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 6/20 0.35
RAB9A P51151 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL14904450 0.89 F10 (0.41) MEN1KMT2AF10NOD2NOD1
SCHEMBL1978636 0.83 F10 (0.42) MEN1KMT2AF10NOD2NOD1
SCHEMBL1983809 0.82 ALDH1A1 (0.37) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904442 0.81 F10 (0.44) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904443 0.81 MEN1 (0.38) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904445 0.80 F10 (0.42) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904448 0.79 MEN1 (0.37) MEN1KMT2AF10NOD2NOD1
SCHEMBL14904457 0.77 MEN1 (0.36) MEN1KMT2AF10NOD2NOD1
SCHEMBL1979196 0.75 F10 (0.45) MEN1KMT2AF10NOD2NOD1
SCHEMBL1977977 0.75 MEN1 (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 2 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 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-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.