SCHEMBL3462483

SCHEMBL3462483

CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 2/20 0.60
NAMPT P43490 2/20 0.59
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTPN1 P18031 1/20 0.57
CA2 P00918 2/20 0.56
ROCK2 O75116 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 1/20 0.56
ROCK1 Q13464 1/20 0.56
MAPKAPK2 P49137 1/20 0.55
POLB P06746 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL4922883 0.93 NAMPT (0.63) NPC1RAB9AMAPTNAMPTMEN1
SCHEMBL10160107 0.90 MAPT (0.53) NPC1RAB9AMAPTNAMPTMEN1
SCHEMBL1854209 0.86 ATM (0.56) NPC1RAB9ANAMPTSMN1; SMN2PTPN1
SCHEMBL6804014 0.85 GLS (0.59) NPC1RAB9AMAPTNAMPTMEN1
SCHEMBL3182565 0.84 NAMPT (0.57) MAPTNAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL12643841 0.84 PPID (0.53) NPC1RAB9AMAPTNAMPTMEN1
SCHEMBL3461792 0.84 SMN1; SMN2 (0.59) NPC1RAB9AMAPTNAMPTMEN1
SCHEMBL165722 0.83 NAMPT (0.64) NAMPT
SCHEMBL22669877 0.83 CA1 (0.55) NAMPTMEN1KMT2ACA2CA12
SCHEMBL7042995 0.82 DRD2 (0.59) NPC1RAB9ANAMPTSMN1; SMN2CA12

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
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 NPC1 4603/4885RAB9A 2294/4885MAPT 2831/4885

“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.