SCHEMBL6490792

SCHEMBL6490792

Nc1ccc2c(c1)CC(NC(=O)c1ccccn1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.54
SMYD3 Q9H7B4 1/20 0.52
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM5A P29375 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43

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
SCHEMBL6499068 0.86 GRM5 (0.66) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL6501250 0.81 KDM4E (0.53) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL6488557 0.80 SIGMAR1 (0.52) SMYD3CA12CA1CA2CA7
SCHEMBL7972733 0.77 HDAC8 (0.51) HDAC8HDAC6KDM5APSEN1PSEN2
SCHEMBL2241357 0.76 GRM5 (0.77) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL8912135 0.75 CRBN (0.44) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL4641731 0.74 CA1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8008813 0.73 CA1 (0.64) CA12CA1CA2CA7CA14
SCHEMBL7986175 0.73 GRM5 (0.72) GRM5SMYD3KDM4EGAAKMT2A
SCHEMBL16394406 0.73 GRM5 (0.88) GRM5SMYD3KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 GRM5 3334/4885SMYD3 2731/4885KDM4E 2286/4885

“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.