SCHEMBL5396641

SCHEMBL5396641

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 1/20 0.54
RORC P51449 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
PPARG P37231 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 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
SCHEMBL3190849 0.87 L3MBTL1 (0.65) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL9334396 0.85 RORC (0.52) L3MBTL1KMT2AMEN1NPSR1RORC
SCHEMBL9696161 0.83 ALDH1A1 (0.55) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL509411 0.82 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6071319 0.82 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1762503 0.81 KMT2A (0.61) KMT2AMEN1NPSR1RORCSMN1; SMN2
SCHEMBL10953243 0.81 HSD17B10 (0.62) ALDH1A1KMT2AMEN1NPSR1RORC
SCHEMBL5913520 0.81 L3MBTL1 (0.69) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL18147340 0.81 MAPT (0.52) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL20045614 0.81 RORC (0.54) L3MBTL1ALDH1A1KMT2AMEN1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189856-B2 Central nervous system disorders; vision defects; antiproliferative agents SHAPIRO GIDEON 2007-03-13 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
US-20030191134-A1 Non-peptide somatostatin receptor ligands SHAPIRO GIDEON (US) 2003-10-09 US disclosed
WO-2003057214-A1 IMIDAZOLIDIN-2,4-DIONE DERIVATIVES AS NON-PEPTIDE SOMATOSTATIN RECEPTOR LIGANDS SOMATOCOR PHARMACEUTICALS, INC. (US) 2003-07-17 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 (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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R L3MBTL1 2451/4885ALDH1A1 2632/4885KMT2A 2058/4885
US-20030191134-A1 Non-peptide somatostatin receptor ligands SSTR2, SSTR1, SSTR3 L3MBTL1 3005/4885ALDH1A1 4704/4885KMT2A 4255/4885

“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.