SCHEMBL2990895

SCHEMBL2990895

CCC(=O)Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4nccnc4c3)S2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CISD1 Q9NZ45 2/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
PIK3CD O00329 1/20 0.39
CSNK2A2 P19784 1/20 0.39
MAOB P27338 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL2990900 1.00 ALOX5 (0.44) ALOX5KMT2AMEN1ALDH1A1TSHR
SCHEMBL2992605 0.91 HPGD (0.44) ALOX5KMT2AMEN1CISD1POLB
SCHEMBL2992608 0.91 HPGD (0.44) ALOX5KMT2AMEN1CISD1POLB
SCHEMBL2993647 0.90 TSHR (0.42) ALOX5KMT2AMEN1ALDH1A1TSHR
SCHEMBL2993651 0.90 TSHR (0.42) ALOX5KMT2AMEN1ALDH1A1TSHR
SCHEMBL2994951 0.88 KMT2A (0.41) KMT2AMEN1ALDH1A1CISD1POLB
SCHEMBL2992893 0.88 NPC1 (0.39) KMT2AMEN1ALDH1A1CISD1CYP3A4
SCHEMBL2994948 0.88 KMT2A (0.41) KMT2AMEN1ALDH1A1CISD1POLB
SCHEMBL2992895 0.88 NPC1 (0.39) KMT2AMEN1ALDH1A1CISD1CYP3A4
SCHEMBL4949454 0.87 CISD1 (0.40) ALOX5KMT2AMEN1ALDH1A1CISD1

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 2869/4885KMT2A 2272/4885MEN1 37/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ALOX5 4155/4885KMT2A 3294/4885MEN1 3889/4885

“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.