SCHEMBL4367559

SCHEMBL4367559

CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 4/20 0.53
POLB P06746 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5345460 0.89 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL14375415 0.89 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL13041372 0.86 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL3737969 0.85 MEN1 (0.73) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL3737974 0.84 MEN1 (0.69) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11593976 0.82 KDM4E (0.55) MEN1KMT2AHTTRAB9AFFAR1
SCHEMBL14338249 0.81 MTNR1B (0.69) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL9162294 0.80 MTNR1B (0.77) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11526803 0.80 HTT (0.71) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11777721 0.80 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2LMNAHTT

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS MEN1 808/4885KMT2A 3750/4885SMN1; SMN2 2240/4885

“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.