SCHEMBL2993900

SCHEMBL2993900

CCOC(=O)CCC(=O)Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NOTUM Q6P988 1/20 0.40
DYRK3 O43781 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
HDAC4 P56524 4/20 0.38
MEF2D Q14814 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL2993901 1.00 ALOX5 (0.41) ALOX5LMNAPOLBMAPTKDM4E
SCHEMBL2993647 0.91 TSHR (0.42) ALOX5LMNAPOLBMAPTKDM4E
SCHEMBL2993651 0.91 TSHR (0.42) ALOX5LMNAPOLBMAPTKDM4E
SCHEMBL4947101 0.90 DYRK3 (0.42) LMNAPOLBMAPTKDM4EDYRK3
SCHEMBL4946166 0.90 DYRK3 (0.42) LMNAPOLBMAPTKDM4EDYRK3
SCHEMBL2996093 0.89 NOTUM (0.43) LMNAPOLBMAPTKDM4ENOTUM
SCHEMBL2996091 0.89 NOTUM (0.43) LMNAPOLBMAPTKDM4ENOTUM
SCHEMBL4942268 0.88 ALDH1A1 (0.43) LMNAPOLBMAPTKDM4ENOTUM
SCHEMBL2989478 0.87 DYRK3 (0.47) POLBMAPTDYRK3CISD1ALDH1A1
SCHEMBL2989471 0.87 DYRK3 (0.47) POLBMAPTDYRK3CISD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALOX5 2869/4885LMNA 600/4885POLB 991/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ALOX5 4155/4885LMNA 1257/4885POLB 3047/4885

“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.