SCHEMBL6140490

SCHEMBL6140490

CC1(C)CC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SCN2A Q99250 1/20 0.51
PKM P14618 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
SIRT6 Q8N6T7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRBN Q96SW2 1/20 0.44
ADRB1 P08588 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL18893649 0.85 POLB (0.72) POLBCA12CA1CA2CA9
SCHEMBL2557016 0.82 SCN2A (0.58) POLBCA12CA1CA2CA9
SCHEMBL6140639 0.79 MAPT (0.62) POLBCA12CA1CA2CA9
SCHEMBL7549606 0.79 MAPT (0.58) POLBCA12CA1CA2CA9
SCHEMBL9824170 0.79 ALDH1A1 (0.53) CA12CA1CA2CA9SCN2A
SCHEMBL6140676 0.78 POLB (0.64) POLBCA12CA1CA2CA9
SCHEMBL16395894 0.78 POLB (0.64) POLBPKMMEN1KMT2AMAPT
SCHEMBL5649903 0.77 POLB (0.62) POLBPKMMEN1KMT2AMAPT
SCHEMBL16395879 0.76 MEN1 (0.66) POLBPKMMEN1KMT2AALDH1A1
SCHEMBL10643664 0.75 SCN2A (0.54) POLBSCN2APKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid MERCK PATENT GMBH (DE) 2005-08-18 US disclosed
EP-1506173-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GmbH (DE) 2005-02-16 EP disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 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-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid PPIP5K2, ITPA, IPMK POLB 1147/4885CA12 2651/4885CA1 1397/4885

“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.