Sugi Predict

Sugi Predict / Compounds / SCHEMBL2296327

SCHEMBL2296327

SCHEMBL2296327

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(CNC(C)=O)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ BPTF Q12830 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ VHL P40337 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 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
SCHEMBL2297430 0.90 AURKA (0.44) SMN1; SMN2IKBKBCNR1
SCHEMBL2296316 0.87 ADORA2B (0.39) SMN1; SMN2RXFP1KDM4ENPC1MAPT
SCHEMBL3399430 0.85 GCGR (0.33) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL2298208 0.84 TLR8 (0.34) SMN1; SMN2CNR2KDM4ENPC1MAPT
SCHEMBL2299677 0.84 ESR1 (0.38) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL2300694 0.84 TLR8 (0.39) CNR1CNR2KDM4EMAPT
SCHEMBL2299848 0.83 RARB (0.41) SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3399600 0.83 HSD11B1 (0.34) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL3666351 0.83 SMN1; SMN2 (0.39) HDAC1HDAC2HDAC8HDAC3SMN1; SMN2
SCHEMBL2297571 0.83 TLR8 (0.37) CNR1CNR2LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO claimed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 HDAC1 3538/4885HDAC2 3463/4885HDAC8 2504/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 HDAC1 3380/4885HDAC2 3278/4885HDAC8 2435/4885

“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.