Sugi Predict

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SCHEMBL2995146

SCHEMBL2995146

NC(=O)c1cnc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.40
▸ DYRK3 O43781 3/20 0.37
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CLK1 P49759 2/20 0.33
▸ CLK3 P49761 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL2995141 1.00 CISD1 (0.40) CISD1DYRK3MEN1KMT2AHDAC3
SCHEMBL2996885 0.92 CISD1 (0.41) CISD1DYRK3MEN1KMT2AHDAC3
SCHEMBL2996880 0.92 CISD1 (0.41) CISD1DYRK3MEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL2990406 0.88 CISD1 (0.40) CISD1DYRK3MEN1KMT2AHDAC3
SCHEMBL2989455 0.88 CISD1 (0.40) CISD1DYRK3MEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL2990409 0.88 CISD1 (0.40) CISD1DYRK3MEN1KMT2AHDAC3
SCHEMBL2989458 0.88 CISD1 (0.40) CISD1DYRK3MEN1KMT2AHDAC3
SCHEMBL4586279 0.86 CISD1 (0.42) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2990219 0.86 CISD1 (0.42) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2993764 0.85 ALOX5 (0.41) CISD1DYRK3MEN1KMT2ACLK1

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
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 — — US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 — — EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 — — EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 — — EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — 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 (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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885DYRK3 1471/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885DYRK3 3748/4885MEN1 37/4885

“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.