SCHEMBL1458749

SCHEMBL1458749

COC(=O)c1sc(Br)cc1NCc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
MAPT P10636 1/20 0.46
MAPK14 Q16539 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL23452086 0.88 CA1 (0.49) MAPTKMT2AL3MBTL1MEN1TDP1
SCHEMBL612035 0.86 POLB (0.49) MAPTRAB9AKMT2AL3MBTL1POLB
SCHEMBL1458598 0.79 KDM4E (0.47) MAPTRAB9ANPC1KMT2AL3MBTL1
SCHEMBL614635 0.79 KDM4E (0.50) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL613592 0.79 KDM4E (0.40) RAF1MAPTMAPK14KMT2AL3MBTL1
SCHEMBL611970 0.77 MEN1 (0.55) MAPTRAB9ANPC1KMT2AL3MBTL1
SCHEMBL614632 0.75 MAPT (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL612156 0.75 MAPT (0.42) RAF1MAPTMAPK14KMT2AL3MBTL1
SCHEMBL613554 0.74 PPARG (0.36) RAF1MAPTMAPK14KMT2AL3MBTL1
SCHEMBL21411362 0.71 ALDH1A1 (0.58) RAF1MAPTMAPK14L3MBTL1ALDH1A1

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
EP-2480556-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036128-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-03-24 US 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-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, RTF2, HCCS RAF1 2504/4885MAPT 4705/4885MAPK14 3562/4885

“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.