Sugi Predict

Sugi Predict / Compounds / SCHEMBL2989458

SCHEMBL2989458

SCHEMBL2989458

CN(C)C(=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 0.35
▸ PDE4B Q07343 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ ALOX5 P09917 6/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CTDSP1 Q9GZU7 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
SCHEMBL2989455 1.00 CISD1 (0.40) CISD1DYRK3PDE4BRORCALOX5
SCHEMBL2996880 0.89 CISD1 (0.41) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2996885 0.89 CISD1 (0.41) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2995146 0.88 CISD1 (0.40) CISD1DYRK3PDE4BALOX5MEN1
SCHEMBL2995141 0.88 CISD1 (0.40) CISD1DYRK3PDE4BALOX5MEN1
Hydrochloric Acid SCHEMBL2990406 0.88 CISD1 (0.40) CISD1DYRK3ALOX5MEN1KMT2A
Hydrochloric Acid SCHEMBL2990409 0.88 CISD1 (0.40) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2990219 0.85 CISD1 (0.42) CISD1MEN1KMT2AMAPTCYP1A2
SCHEMBL4586279 0.85 CISD1 (0.42) CISD1MEN1KMT2AMAPTCYP1A2
SCHEMBL2993764 0.84 ALOX5 (0.41) CISD1DYRK3ALOX5MEN1KMT2A

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 1471/4885PDE4B 2337/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885DYRK3 3748/4885PDE4B 1723/4885

“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.