SCHEMBL3460830

SCHEMBL3460830

CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
KMT2A Q03164 5/20 0.54
NOX1 Q9Y5S8 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 3/20 0.49
TAAR1 Q96RJ0 2/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 2/20 0.49
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
CDK9 P50750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
PAX8 Q06710 1/20 0.48
MLYCD O95822 1/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
MAPT P10636 4/20 0.46
MAOA P21397 2/20 0.46

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
SCHEMBL7200107 0.83 RAB9A (0.57) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL8018111 0.81 PAX8 (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL8749479 0.80 PAX8 (0.47) RAB9ANPC1KMT2ANOX1MEN1
SCHEMBL1691044 0.80 PAX8 (0.60) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3461792 0.79 SMN1; SMN2 (0.59) RAB9ANPC1KMT2ANOX1MEN1
SCHEMBL29245786 0.77 PAX8 (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL29908945 0.77 HDAC8 (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL24486163 0.77 PAX8 (0.50) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5982541 0.76 RAB9A (0.69) RAB9ANPC1KMT2ANOX1MEN1
SCHEMBL29330300 0.76 RAB9A (0.69) RAB9ANPC1KMT2ANOX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B RAB9A 2294/4885NPC1 4603/4885KMT2A 2144/4885

“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.