SCHEMBL5713503

SCHEMBL5713503

O=C(Nc1ccc2ccccc2c1)N(S)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.54
NPC1 O15118 13/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL14859165 0.82 ALDH1A1 (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1122536 0.81 NPC1 (0.66) RAB9ANPC1MAPT
SCHEMBL5818774 0.79 NPC1 (0.67) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL222250 0.78 MEN1 (0.36) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL220680 0.78 MEN1 (0.41) RAB9AMAPTMEN1KMT2APOLB
SCHEMBL5713541 0.78 THRB (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL220071 0.78 SMN1; SMN2 (0.37) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL5713553 0.77 NPC1 (0.62) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL14859818 0.76 NR1H4 (0.49)
SCHEMBL2229842 0.76 NPC1 (0.76) RAB9ANPC1MAPTMEN1KMT2A

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 4 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
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 RAB9A 2975/4885NPC1 962/4885MAPT 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.