SCHEMBL5913635

SCHEMBL5913635

CN(C)Cc1ccc(-c2cccs2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
MAPT P10636 2/20 0.36
EIF4E P06730 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL29064508 0.79 TSHR (0.51) ERN1ALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL11660607 0.77 ERN1 (0.55) ERN1HTTL3MBTL1POLBMEN1
SCHEMBL8692154 0.77 TDP1 (0.47) ERN1ALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL5913395 0.76 ERN1 (0.40) ERN1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL38654501 0.76 S100A4 (0.47) ERN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15741251 0.76 S100A4 (0.47) ERN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27593939 0.76 ATM (0.50) ERN1ALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL6955876 0.75 MAPT (0.54) ALDH1A1HTTPOLBSMN1; SMN2MEN1
SCHEMBL5913633 0.75 MAPT (0.39) ERN1ALDH1A1L3MBTL1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5913690 0.74 LTA4H (0.40) ALDH1A1NPC1RAB9ASLC6A4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN 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

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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R ERN1 3002/4885ALDH1A1 2632/4885HTT 1770/4885

“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.