SCHEMBL6033067

SCHEMBL6033067

c1ccc(SC2=NCCCS2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LMNA P02545 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 3/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PTGIR P43119 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3291901 0.88 LMNA (0.44) ALDH1A1NPSR1LMNATSHRRAB9A
SCHEMBL6032247 0.81 NOS3 (0.35) ALDH1A1NPSR1NOS3NOS1NOS2
SCHEMBL6033404 0.81 ALDH1A1 (0.41) ALDH1A1NOS3NOS1NOS2LMNA
SCHEMBL6032664 0.81 TSHR (0.43) NOS3NOS1NOS2LMNACYP3A4
SCHEMBL6033318 0.81 SMN1; SMN2 (0.36) ALDH1A1NPSR1NOS3NOS1NOS2
SCHEMBL6033463 0.80 ALDH1A1 (0.41) ALDH1A1NPSR1LMNACYP3A4CYP2D6
SCHEMBL6033042 0.80 KDM4E (0.42) ALDH1A1LMNACYP3A4CYP2D6TSHR
SCHEMBL6033461 0.79 MAPT (0.39) ALDH1A1NOS3NOS1NOS2LMNA
SCHEMBL6033133 0.78 PTGIR (0.43) ALDH1A1NPSR1LMNACYP3A4CYP2D6
SCHEMBL6033024 0.78 KMT2A (0.48) ALDH1A1NPSR1LMNAKMT2ASMN1; SMN2

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
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
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP disclosed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 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 (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 40/4885NPSR1 3316/4885NOS3 1611/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 ALDH1A1 40/4885NPSR1 3316/4885NOS3 1611/4885

“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.