SCHEMBL3842085

SCHEMBL3842085

CC(C)(C)OC(=O)N[N]C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RAB9A P51151 9/20 0.49
NPC1 O15118 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
MIF P14174 1/20 0.45
CTSK P43235 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL22750830 0.81 RAB9A (0.55) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21584892 0.77 EPHX1 (0.54) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7396912 0.76 MAPT (0.50) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21098875 0.74 PPARG (0.39) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL20202546 0.74 RAB9A (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL3842089 0.74 SMN1; SMN2 (0.56) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Benzoic Acid SCHEMBL4484054 0.74 MAPT (0.51) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL9409058 0.74 NPC1 (0.53) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12979794 0.73 MAPT (0.76) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL3266677 0.73 MAPT (0.76) MAPTRAB9ANPC1KMT2AMEN1

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
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP 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 (2 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 MAPT 3869/4885RAB9A 1986/4885NPC1 1799/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 MAPT 3393/4885RAB9A 3433/4885NPC1 2141/4885

“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.