SCHEMBL3460669

SCHEMBL3460669

COc1cc(N)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 1/20 0.60
RCE1 Q9Y256 1/20 0.60
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 1/20 0.55
GAA P10253 1/20 0.55
POLB P06746 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL3461022 0.89 MEN1 (0.72) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL7419040 0.84 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5853936 0.84 MEN1 (0.79) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3460667 0.83 RAB9A (0.71) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL11895728 0.82 RAB9A (0.76) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL16592515 0.82 GAA (0.59) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3102961 0.81 MAPT (0.67) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL29886123 0.81 MAPT (0.67) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL16942621 0.81 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21295391 0.81 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1HPGD

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 MAPT 2831/4885MEN1 4730/4885KMT2A 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.