SCHEMBL537626

SCHEMBL537626

Cc1ccc(N=NN2C(C)(C)CC(O)CC2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
NPC1 O15118 8/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.34
CYP1A1 P04798 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
HTR3B O95264 1/20 0.32

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
SCHEMBL537625 1.00 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL537707 0.85 ALDH1A1 (0.36) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL537708 0.85 ALDH1A1 (0.36) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL612814 0.81 CYP1B1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL612813 0.81 CYP1B1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL10033963 0.78 MAPT (0.36) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL11511038 0.73 SMN1; SMN2 (0.42) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL537659 0.71 MEN1 (0.35) RAB9ANPC1MEN1KMT2A
SCHEMBL537658 0.71 MEN1 (0.35) RAB9ANPC1MEN1KMT2A
SCHEMBL27856609 0.67 SLC18A3 (0.32) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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
CN-102365263-B Polymerizable composition BASF SE 2015-04-01 CN disclosed
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
EP-2414324-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-08 EP disclosed
WO-2010112410-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2010-10-07 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-20120041093-A1 POLYMERIZABLE COMPOSITIONS H1-10, CBR1, NR1H2 RAB9A 1305/4885NPC1 2325/4885MAPT 3756/4885

“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.