SCHEMBL6188423

SCHEMBL6188423

CC(=O)N1CCc2ccc(S)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
HRH3 Q9Y5N1 2/20 0.50
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
NR1H2 P55055 1/20 0.45
F10 P00742 2/20 0.44
PRMT5 O14744 1/20 0.43
MCHR1 Q99705 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ACE P12821 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11337389 0.91 NOTUM (0.51) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL25730596 0.83 ACE (0.51) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL12287671 0.82 NOTUM (0.65) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL3895820 0.82 ESR2 (0.66) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL3909239 0.81 NOTUM (0.63) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL4518190 0.81 NOTUM (0.63) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL30561545 0.81 NR1H2 (0.66) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL8221038 0.81 NOTUM (0.63) NOTUMHRH3ESR2ESR1MCHR1
SCHEMBL397687 0.81 NR1H2 (0.66) NOTUMHRH3ESR2ESR1NR1H2
SCHEMBL30575058 0.81 NOTUM (0.63) NOTUMHRH3ESR2ESR1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP disclosed
EP-0055899-B1 ANTIALLERGIC IMIDODISULFAMIDES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1984-06-27 EP disclosed
US-4385047-A ANTIASTHMATICS SMITHKLINE BECKMAN CORPORATION (US) 1983-05-24 US disclosed
EP-0055899-A2 Antiallergic imidodisulfamides, process for their production and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1982-07-14 EP disclosed
US-4228170-A INHIBITOR OF PHENYLETHANOLAMINE N-METHYLTRANSFERASE SMITHKLINE CORPORATION (US) 1980-10-14 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 NOTUM 888/4885HRH3 65/4885ESR2 3064/4885

“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.