SCHEMBL143396

SCHEMBL143396

O=C1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
RAB9A P51151 1/20 0.56
CRBN Q96SW2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
SCN2A Q99250 1/20 0.49
ADRB1 P08588 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
TDP2 O95551 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL144141 0.86 MEN1 (0.45) MAPTMEN1KMT2ARAB9ACRBN
SCHEMBL10429499 0.82 MAPT (0.62) MAPTMEN1KMT2AHSD17B10POLB
SCHEMBL28932685 0.81 MEN1 (0.42) MAPTMEN1KMT2ARAB9ACRBN
SCHEMBL10643664 0.80 SCN2A (0.54) MAPTMEN1KMT2APOLBSCN2A
SCHEMBL854781 0.77 SIRT6 (0.51) MAPTMEN1KMT2ACRBNPOLB
SCHEMBL125195 0.76 MAPT (1.00) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL8441345 0.76 MEN1 (1.00) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL20020500 0.76 MEN1 (0.69) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL28744558 0.76 MEN1 (0.69) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL125016 0.75 MEN1 (0.68) MAPTMEN1KMT2ARAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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 (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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 MAPT 2242/4885MEN1 4480/4885KMT2A 3041/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS MAPT 2173/4885MEN1 4473/4885KMT2A 2961/4885

“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.