SCHEMBL3504065

SCHEMBL3504065

CCCN(CCC)S(=O)(=O)c1cccc2nsnc12

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 5/20 0.57
GLA P06280 2/20 0.57
TSHR P16473 2/20 0.57
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL12774648 0.75 ALDH1A1 (0.68) POLBALDH1A1GLAKMT2AMEN1
SCHEMBL4111126 0.72 ALDH1A1 (0.63) POLBALDH1A1GLAKMT2AMEN1
SCHEMBL3138057 0.72 ALDH1A1 (0.63) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL761217 0.72 ALDH1A1 (0.63) POLBALDH1A1GLAKMT2AMEN1
SCHEMBL15308195 0.71 ALDH1A1 (1.00) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL23016797 0.70 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL21976700 0.69 CYP1A2 (0.69) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL14229106 0.69 TSHR (0.85) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL15882764 0.68 ALDH1A1 (0.71) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10455037 0.68 MCOLN3 (0.54) ALDH1A1TSHRLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US claimed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP claimed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO claimed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 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 (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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR POLB 2753/4885ALDH1A1 431/4885GLA 1046/4885

“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.