SCHEMBL5713613

SCHEMBL5713613

COc1ccc(NC(C)=O)cc1N(S)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
SMO Q99835 2/20 0.44
NAMPT P43490 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
UBE2N P61088 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6809743 0.84 KMT2A (0.55) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL6812711 0.79 PNLIP (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL3042826 0.78 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6813197 0.75 ALDH1A1 (0.64) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5713610 0.74 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6813253 0.74 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6813678 0.74 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11806868 0.73 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11438782 0.73 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11501878 0.72 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1HTT

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
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 US disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 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-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR MEN1 4578/4885KMT2A 2298/4885MAPT 4736/4885

“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.