SCHEMBL4075458

SCHEMBL4075458

CCNS(=O)(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP2C9 P11712 1/20 0.51
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
VCAM1 P19320 1/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 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
SCHEMBL4068121 0.83 LMNA (0.50) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL11511836 0.81 ALDH1A1 (0.83) ALDH1A1CYP2C9LMNATSHRKDM4E
SCHEMBL1101996 0.80 SMN1; SMN2 (0.53) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL13901771 0.80 CYP3A4 (0.42) ALDH1A1LMNATSHRCYP3A4KDM4E
SCHEMBL4759857 0.78 USP2 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2CA2
SCHEMBL10451648 0.78 CYP3A4 (0.50) ALDH1A1CYP2C9TSHRCYP3A4MAPK1
SCHEMBL4078722 0.78 KEAP1 (0.65) ALDH1A1LMNACYP3A4KDM4EMAPK1
SCHEMBL4757991 0.77 CA12 (0.65) ALDH1A1LMNATSHRKDM4ECA2
SCHEMBL4074211 0.76 ALDH1A1 (0.51) ALDH1A1CYP2C9LMNATSHRCYP3A4
SCHEMBL22831614 0.75 ALDH1A1 (0.56) ALDH1A1CYP2C9LMNAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 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 (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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A ALDH1A1 207/4885CYP2C9 1298/4885LMNA 3472/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 ALDH1A1 554/4885CYP2C9 1653/4885LMNA 4090/4885

“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.