SCHEMBL6712835

SCHEMBL6712835

Nc1ccc(Nc2ccc(CC3CCCCC3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MAPK1 P28482 7/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL9728612 0.77 MAPT (0.79) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL11528732 0.73 KMT2A (0.52) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL6712646 0.73 L3MBTL1 (0.52) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL8353349 0.73 MEN1 (1.00) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL243259 0.73 MEN1 (1.00) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL11514191 0.73 MAPT (0.51) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL15000805 0.72 MAPT (0.71) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL19041388 0.71 MAPT (0.69) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL19041463 0.71 MAPT (0.69) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL3155441 0.70 NFE2L2 (0.50) KMT2AMEN1ALDH1A1TDP1

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-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 MAPT 3685/4885MAPK1 721/4885KMT2A 4023/4885

“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.