SCHEMBL4703230

SCHEMBL4703230

COC(Cc1ccccc1)N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 2/20 0.42
CYP2A6 P11509 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP2D6 P10635 1/20 0.40
LAP3 P28838 1/20 0.39
CYP2E1 P05181 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL3954342 0.82 LAP3 (0.42) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL8762408 0.76 MIF (0.52) MIFTAAR1SLC6A2CYP2A6SIGMAR1
SCHEMBL4700347 0.72 MIF (0.54) MIFALDH1A1ANPEP
SCHEMBL11212905 0.72 TAAR1 (0.42) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL6386364 0.70 MIF (0.65) MIFSLC6A2CYP2A6SIGMAR1SLC6A4
SCHEMBL14764261 0.69 TAAR1 (0.52) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL112281 0.69 TAAR1 (0.52) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL4950924 0.69 EPHX1 (0.62) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL4950704 0.69 EPHX1 (0.62) TAAR1SLC6A2CYP2A6SIGMAR1MAOA
SCHEMBL479459 0.69 EPHX1 (0.62) TAAR1SLC6A2CYP2A6SIGMAR1MAOA

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
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP 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-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C MIF 1900/4885TAAR1 99/4885SLC6A2 1606/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C MIF 1900/4885TAAR1 99/4885SLC6A2 1606/4885

“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.