SCHEMBL11929092

SCHEMBL11929092

CN(C(=O)c1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
AURKA O14965 1/20 0.54
NPC1 O15118 1/20 0.54
PDPK1 O15530 1/20 0.54
JAK2 O60674 1/20 0.54
GMNN O75496 1/20 0.54
EGFR P00533 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
LYN P07948 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL11929145 0.90 L3MBTL1 (0.58) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10281469 0.85 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18585286 0.80 MEN1 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11925061 0.78 ALDH1A1 (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8877704 0.77 HSD17B10 (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27972762 0.75 ALDH1A1 (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29274435 0.75 ATM (0.45) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18586757 0.74 LMNA (0.53) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22088833 0.74 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8042390 0.72 KMT2A (0.81) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 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-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 L3MBTL1 3008/4885KMT2A 652/4885MEN1 2927/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 L3MBTL1 3008/4885KMT2A 652/4885MEN1 2927/4885

“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.