Sugi Predict

Sugi Predict / Compounds / SCHEMBL8302874

SCHEMBL8302874

SCHEMBL8302874

CC[C@H](C(=O)NCc1ccc(CN2[C@@H](c3ncccc3C)CCC[C@H]2c2ncccc2C)c(CO)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 2/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ KDM4A O75164 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ KCNQ2 O43526 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KCNE1 P15382 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34
▸ KCNQ4 P56696 1/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ NMT1 P30419 1/20 0.33

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
SCHEMBL2479259 1.00 MEN1 (0.45) MEN1KMT2AGAAPOLBLMNA
SCHEMBL8306175 0.90 MEN1 (0.46) MEN1KMT2AGAAPOLBLMNA
SCHEMBL2475430 0.90 MEN1 (0.46) MEN1KMT2AGAAPOLBLMNA
SCHEMBL8306155 0.85 CXCR4 (0.35) LMNATP53
SCHEMBL2474177 0.84 CXCR4 (0.35) POLBTP53
SCHEMBL8306147 0.82 CXCR4 (0.34) MEN1KMT2A
SCHEMBL2473633 0.82 PTGES (0.40) —
SCHEMBL11983350 0.82 MAPT (0.36) POLBLMNATP53
SCHEMBL8301709 0.81 CXCR4 (0.40) MEN1KMT2AGAALMNA
SCHEMBL2479491 0.80 SMO (0.35) POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 — — EP disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 — — US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 — — US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 — — US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 — — US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 — — US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 — — US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 — — 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-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 MEN1 4295/4885KMT2A 2901/4885GAA 4780/4885

“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.