SCHEMBL13619260

SCHEMBL13619260

CCN1/C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A3 O75751 2/20 1.00
SLC22A2 O15244 1/20 1.00
SLC22A1 O15245 1/20 1.00
NQO2 P16083 1/20 1.00
MEN1 O00255 14/20 0.98
KMT2A Q03164 14/20 0.98
HTT P42858 11/20 0.98
POLB P06746 11/20 0.98
MAPT P10636 11/20 0.98
RAB9A P51151 10/20 0.98
ALDH1A1 P00352 10/20 0.98
LMNA P02545 9/20 0.98
SMN1; SMN2 Q16637 9/20 0.98
NPSR1 Q6W5P4 7/20 0.98
PKM P14618 6/20 0.98
RECQL P46063 4/20 0.98
ALPG P10696 3/20 0.98
S1PR2 O95136 2/20 0.98
BLM P54132 4/20 0.76
THRB P10828 1/20 0.76

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
Bromide SCHEMBL3389494 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
SCHEMBL29378931 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
SCHEMBL29832895 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
SCHEMBL3978997 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
Bromide SCHEMBL3389493 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
SCHEMBL737002 1.00 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
Iodide SCHEMBL8859608 0.99 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
Iodide SCHEMBL29462337 0.99 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
Hydrochloric Acid SCHEMBL4107666 0.99 MEN1 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1
Iodide SCHEMBL4779860 0.99 SLC22A3 (1.00) SLC22A3SLC22A2SLC22A1NQO2MEN1

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
WO-2009134877-A2 THERAPEUTICS FOR TREATMENT RESISTANT MENTAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-05 WO disclosed
US-20090221552-A1 Methods for the Treatment of ADHD and Related Disorders THE MCLEAN HOSPITAL CORPORATION (US) 2009-09-03 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-20090221552-A1 Methods for the Treatment of ADHD and Related Disorders SLC6A3, SLC6A2, SLC6A4 SLC22A3 105/4885SLC22A2 345/4885SLC22A1 427/4885

“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.