SCHEMBL6033318

SCHEMBL6033318

Brc1ccc(SC2=NCCCS2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 6/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 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
SCHEMBL6033049 0.82 MAPT (0.46) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL6032664 0.82 TSHR (0.43) NOS3NOS1NOS2LMNAKMT2A
SCHEMBL6032247 0.82 NOS3 (0.35) ALDH1A1NOS3NOS1NOS2LMNA
SCHEMBL6033404 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL6033067 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL6033461 0.79 MAPT (0.39) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL6033133 0.78 PTGIR (0.43) SMN1; SMN2ALDH1A1LMNAKMT2AHPGD
SCHEMBL6033024 0.78 KMT2A (0.48) SMN1; SMN2ALDH1A1LMNAKMT2ANPSR1
SCHEMBL6032640 0.76 GFER (0.52) SMN1; SMN2ALDH1A1LMNAKMT2AHPGD
SCHEMBL6033077 0.75 HAO1 (0.40) RECQLNOS3NOS1NOS2LMNA

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 10 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
JP-54145680-A None JP disclosed
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
JP-S54145680-A 2-(SUBSTITUTED PHENYLTHIO)-4,5-DIHYDRO-6H-1,3-THIAZINE KURARAY CO LTD 1979-11-14 JP 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 SMN1; SMN2 1705/4885ALDH1A1 40/4885RECQL 369/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 SMN1; SMN2 1705/4885ALDH1A1 40/4885RECQL 369/4885

“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.