SCHEMBL9883155

SCHEMBL9883155

COc1ccc(C(C)CNC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
IDO1 P14902 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ABCB11 O95342 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16218942 0.81 ACACB (0.47) ALDH1A1PRSS1ACACBF2
SCHEMBL4018230 0.80 AOC3 (0.58) AOC3RAB9ANPC1SMN1; SMN2
SCHEMBL17198959 0.80 AOC3 (0.58) AOC3RAB9ANPC1SMN1; SMN2
SCHEMBL9512709 0.79 MTNR1A (0.67) ALDH1A1MEN1KMT2ATRPV1MTNR1A
SCHEMBL5804284 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2ATRPV1MTNR1A
SCHEMBL6148877 0.73 ALDH1A1 (0.50) AOC3ALDH1A1MAPTGAAMEN1
SCHEMBL4093144 0.73 ALDH1A1 (0.62) ALDH1A1PRSS1PRSS2PRSS3MEN1
SCHEMBL12327031 0.72 ABCB11 (0.60) MAPTABCB11CA1CA2CYP1A2
SCHEMBL5051934 0.72 KMT2A (0.56) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL17755256 0.71 MAPT (0.45) AOC3ALDH1A1MAPTGAAABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 AOC3 1013/4885ALDH1A1 2864/4885MAPT 412/4885

“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.