SCHEMBL3611178

SCHEMBL3611178

COc1ccc(Br)c(OC(=S)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
HPGD P15428 3/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3023268 0.79 NPC1 (0.40) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL4802368 0.78 ALDH1A1 (0.63) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL3483598 0.77 ALDH1A1 (0.41) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL3483216 0.77 L3MBTL1 (0.48) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL10375926 0.77 KDM4E (0.53) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL6604009 0.76 CYP3A4 (0.39) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL10852579 0.76 KMT2A (0.48) ALDH1A1HPGDRAD52LMNAHTT
SCHEMBL6173663 0.75 BACE1 (0.56) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL396571 0.75 RAB9A (0.42) ALDH1A1LMNAHTTRAB9ANCEH1
SCHEMBL14127541 0.74 CA12 (0.62) ALDH1A1HPGDRAD52CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ALDH1A1 1763/4885HPGD 1006/4885RAD52 1735/4885

“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.