SCHEMBL6140977

SCHEMBL6140977

O=C1CCCC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
AR P10275 2/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
PGR P06401 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
PDE4D Q08499 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SIRT6 Q8N6T7 1/20 0.56
MAPT P10636 8/20 0.51

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
SCHEMBL960384 0.94 LMNA (0.61) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL6498189 0.81 LMNA (0.62) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL22288743 0.81 AR (0.65) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL3188776 0.80 ALDH1A1 (0.57) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL961124 0.78 SIRT6 (0.77) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL11623150 0.78 LMNA (0.58) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL28137192 0.77 SIRT6 (0.75) KMT2ALMNAMEN1SMN1; SMN2CYP1A2
SCHEMBL12478451 0.77 SIRT6 (0.75) KMT2ALMNAMEN1SMN1; SMN2CYP1A2
SCHEMBL629458 0.77 AR (0.74) KMT2ALMNAMEN1SMN1; SMN2AR
SCHEMBL6140635 0.77 AR (0.48) KMT2ALMNAMEN1ARMAPT

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 KMT2A 4192/4885LMNA 2900/4885MEN1 936/4885

“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.