SCHEMBL264952

SCHEMBL264952

CON(C)C(=O)c1ccc2nn[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
HPGDS O60760 2/20 0.40
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
HPGD P15428 2/20 0.32
CYP2C9 P11712 2/20 0.32
POLB P06746 2/20 0.32
RECQL P46063 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL16600861 0.89 MLYCD (0.40) MLYCDHPGDSALDH1A1HTTLMNA
SCHEMBL9871375 0.79 KDM4E (0.52) ALDH1A1L3MBTL1HTTLMNAKDM4E
SCHEMBL1534631 0.77 HDAC6 (0.55) ALDH1A1L3MBTL1HTTLMNAKDM4E
SCHEMBL263919 0.77 SLC2A1 (0.44) ALDH1A1L3MBTL1KDM4EHSP90AA1ESR2
SCHEMBL21156823 0.76 HSP90AA1 (0.62) HPGDSALDH1A1L3MBTL1HTTLMNA
SCHEMBL30593443 0.76 HSP90AA1 (0.62) HPGDSALDH1A1L3MBTL1HTTLMNA
SCHEMBL264413 0.75 TDP1 (0.51) ALDH1A1L3MBTL1KDM4EHSP90AA1ESR2
SCHEMBL29510973 0.75 TDP1 (0.51) ALDH1A1L3MBTL1KDM4EHSP90AA1ESR2
SCHEMBL20982733 0.74 CHEK2 (0.58) HPGDSHDAC6SIRT2SIRT1
SCHEMBL29751019 0.73 CHEK2 (0.48)

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MLYCD 3563/4885HPGDS 3149/4885ALDH1A1 986/4885

“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.