SCHEMBL4603596

SCHEMBL4603596

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PIM1 P11309 1/20 0.43
RAB9A P51151 1/20 0.43
CISD1 Q9NZ45 1/20 0.41
DYRK3 O43781 1/20 0.39
XDH P47989 1/20 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
SCHEMBL4603593 1.00 ALOX5 (0.50) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL2995792 0.86 DYRK3 (0.39) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2995795 0.86 DYRK3 (0.39) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2996292 0.85 ALOX5 (0.40) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2987520 0.85 F11 (0.39) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2788265 0.85 ACHE (0.41) ALOX5MEN1KMT2ACISD1
SCHEMBL2996287 0.85 ALOX5 (0.40) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2987521 0.85 F11 (0.39) ALOX5MEN1KMT2APIM1CISD1
SCHEMBL2788267 0.85 ACHE (0.41) ALOX5MEN1KMT2ACISD1
SCHEMBL2993913 0.84 CISD1 (0.39) ALOX5MEN1KMT2APIM1CISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 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 (1 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ALOX5 4177/4885MEN1 4161/4885KMT2A 3255/4885

“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.