SCHEMBL6439879

SCHEMBL6439879

CN1CC(c2ccccc2)N(C)C1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
BRD4 O60885 3/20 0.41
RIPK1 Q13546 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SRD5A1 P18405 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL20794010 0.77 RIPK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10041517 0.77 RIPK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10533429 0.77 RIPK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10041519 0.77 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14870536 0.72 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1070651 0.72 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11781437 0.72 ALDH1A1 (0.44) GAAMAOBALDH1A1KMT2ARAB9A
SCHEMBL30991573 0.70 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11973066 0.70 ATM (0.44) GAAALDH1A1KMT2AATMLMNA
SCHEMBL11983050 0.70 KDM1A (0.34) GAACHRNB2CHRNB4CHRNA3CHRNA7

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-1030909-A4 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES SENTRON MEDICAL INC (US) 2005-11-16 EP disclosed
US-20050036993-A1 Immune activation by double-stranded polynucleotides KOHN LEONARD D (US) 2005-02-17 US disclosed
US-20020142974-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES SENTRON MEDICAL, INC. 2002-10-03 US disclosed
US-6365616-B1 TRANSPLANT REJECTION SENTRON MEDICAL, INC. 2002-04-02 US disclosed
EP-1112072-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES Sentron Medical, Inc. (US) 2001-07-04 EP disclosed
WO-2000015768-A9 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES KOHN LEONARD D (US) 2000-08-31 WO disclosed
EP-1030909-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES KOHN, Leonard D. (US) 2000-08-30 EP disclosed
WO-2000015768-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES KOHN LEONARD D (US) 2000-03-23 WO disclosed
WO-2000012175-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES SENTRON MEDICAL, INC. (US) 2000-03-09 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-20050036993-A1 Immune activation by double-stranded polynucleotides MICA, CD74, HLA-DRB1 GAA 1618/4885CHRNB2 899/4885CHRNB4 993/4885
US-20020142974-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES MICA, CD74, HLA-DRB1 GAA 1618/4885CHRNB2 899/4885CHRNB4 993/4885

“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.