SCHEMBL4924276

SCHEMBL4924276

CN(C)c1ccccc1C1NCCS1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.41
ERN1 O75460 1/20 0.38
GPR3 P46089 1/20 0.32
GSK3B P49841 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
PRCP P42785 1/20 0.30
CHEK1 O14757 1/20 0.30
NEK2 P51955 1/20 0.30
LIMK1 P53667 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL7744554 0.77 MAPT (0.53) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL3396242 0.74 MAPT (0.53) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL27288856 0.74 SMN1; SMN2 (0.51) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL8951248 0.74 MAPT (0.44) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL1757653 0.70 MAPT (0.33) MAPTTDP1ALDH1A1SMN1; SMN2GPR3
SCHEMBL4924273 0.69 ALDH1A1 (1.00) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL4655299 0.69 MAPT (0.66) MAPTTDP1ALDH1A1SMN1; SMN2GAA
SCHEMBL23323175 0.68 MEN1 (0.42) SMN1; SMN2
SCHEMBL30683723 0.68 ERN1 (0.48) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL30078318 0.68 MEN1 (0.42) SMN1; SMN2

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-1968641-B1 PRODUCTION OF CONJUGATES INNOVA BIOSCIENCES LTD (GB) 2014-06-11 EP disclosed
US-20130295641-A1 Production of Conjugates INNOVA BIOSCIENCES LTD (GB) 2013-11-07 US disclosed
US-8492129-B2 Production of conjugates INNOVA BIOSCIENCES, LTD. (GB) 2013-07-23 US disclosed
US-20080299637-A1 Production of Conjugates ABCAM LIMITED (GB) 2008-12-04 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-20080299637-A1 Production of Conjugates GSTA2, TST, GSTK1 MAPT 4496/4885TDP1 4131/4885ALDH1A1 111/4885

“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.