SCHEMBL6033404

SCHEMBL6033404

Clc1ccc(SC2=NCCCS2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
PTGIR P43119 2/20 0.39
HAO1 Q9UJM8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6032645 0.89 MAPT (0.50) ALDH1A1MAPTPTGIRHAO1L3MBTL1
SCHEMBL6033049 0.82 MAPT (0.46) ALDH1A1MAPTPTGIRHAO1NOS3
SCHEMBL6032247 0.82 NOS3 (0.35) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL6032664 0.82 TSHR (0.43) MAPTL3MBTL1NOS3NOS1NOS2
SCHEMBL6032678 0.82 ALDH1A1 (0.38) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL6033318 0.82 SMN1; SMN2 (0.36) ALDH1A1MAPTHAO1NOS3NOS1
SCHEMBL6033067 0.81 ALDH1A1 (0.41) ALDH1A1MAPTPTGIRL3MBTL1NOS3
SCHEMBL6033077 0.81 HAO1 (0.40) MAPTHAO1NOS3NOS1NOS2
SCHEMBL6033042 0.80 KDM4E (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6033461 0.79 MAPT (0.39) ALDH1A1MAPTNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US claimed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP claimed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US claimed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 WO claimed
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 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 (2 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-20030129081-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 ALDH1A1 40/4885MAPT 2345/4885PTGIR 3848/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 ALDH1A1 40/4885MAPT 2345/4885PTGIR 3848/4885

“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.