Sugi Predict

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SCHEMBL2984473

SCHEMBL2984473

CCc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c(Cl)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.40
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL2993018 0.92 CISD1 (0.39) CISD1FABP3FABP4FABP5MEN1
SCHEMBL2993654 0.90 CISD1 (0.38) CISD1FABP3FABP4FABP5MEN1
SCHEMBL2993870 0.86 ENPP2 (0.43) CISD1FABP3FABP4FABP5MEN1
SCHEMBL2993528 0.85 MEN1 (0.36) CISD1FABP3FABP4FABP5MEN1
SCHEMBL2990218 0.85 CISD1 (0.40) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2990222 0.85 CISD1 (0.40) CISD1MEN1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL2998142 0.84 FABP3 (0.43) CISD1FABP3FABP4FABP5
SCHEMBL4585691 0.81 CISD1 (0.41) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL4585695 0.81 CISD1 (0.41) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2996253 0.78 CISD1 (0.41) CISD1MEN1KMT2AENPP2POLB

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 3112/4885FABP3 263/4885FABP4 2558/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885FABP3 3153/4885FABP4 393/4885

“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.