SCHEMBL9903409

SCHEMBL9903409

CCCOc1cc(OCCC)nc(S(C)(=O)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADORA3 P0DMS8 7/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.38
SDHB P21912 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL9903210 0.91 LMNA (0.56) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL9902724 0.89 LMNA (0.55) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL9903430 0.88 LMNA (0.53) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL8953787 0.85 SMN1; SMN2 (0.62) LMNASMN1; SMN2ADORA2AADORA1SDHB
SCHEMBL27859925 0.81 LMNA (0.41) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL38662046 0.79 LMNA (0.60) LMNASMN1; SMN2SDHBMAPTHTT
SCHEMBL9432390 0.75 SMN1; SMN2 (0.50) LMNASMN1; SMN2ADORA2AADORA1MAPT
SCHEMBL8869963 0.75 LMNA (0.50) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL1067726 0.74 SMN1; SMN2 (1.00) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL4278660 0.74 ALDH1A1 (0.41) LMNAADORA3ADORA2AADORA1MAPT

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
EP-2463277-B1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-11-08 EP disclosed
US-8748605-B2 Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-10 US disclosed
US-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2012-07-26 US disclosed
EP-2463277-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-06-13 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 (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-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF DPYD, TYMP, DTYMK LMNA 3856/4885SMN1; SMN2 2788/4885ADORA3 811/4885

“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.