SCHEMBL4802391

SCHEMBL4802391

O=C(Nc1nc2c(s1)CCCC2C(=O)N1CCN(Cc2cc3ccccc3o2)CC1)c1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RORC P51449 5/20 0.39
DHODH Q02127 5/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTR2B P41595 3/20 0.37
HTR1A P08908 1/20 0.37
PREP P48147 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
ADORA1 P30542 1/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.34
GRIN2B Q13224 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
SCHEMBL3157325 0.85 RORC (0.41) CA2CA9RORCDHODHMAPK1
SCHEMBL4804222 0.83 OPRM1 (0.43) RORCDHODHTMIGD3ADORA1GAA
SCHEMBL4798494 0.83 RORC (0.40) CA2CA9RORCDHODHMAPK1
SCHEMBL3171622 0.81 HTR2B (0.42) CA2CA9MAPK1LMNAHTR2B
SCHEMBL4798462 0.79 SLC27A1 (0.47) LMNATMIGD3ADORA1
SCHEMBL4805581 0.75 RORC (0.45) RORCDHODHLMNAADORA1
SCHEMBL3169724 0.75 TMIGD3 (0.49) MAPK1LMNATMIGD3ADORA1GAA
SCHEMBL4802777 0.74 F2 (0.43) RORCDHODHGAA
SCHEMBL4804431 0.73 NPC1 (0.46) LMNAGAA
SCHEMBL4802788 0.73 TMIGD3 (0.40) MAPK1LMNATMIGD3ADORA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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 (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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 CA2 2187/4885CA9 4657/4885RORC 746/4885

“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.