SCHEMBL4469450

SCHEMBL4469450

Cc1ccc2c(c1)C(=CCC[N+](C)(C)C)c1ccccc1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 2/20 0.54
USP2 O75604 5/20 0.53
APAF1 O14727 2/20 0.53
POLB P06746 2/20 0.53
HSP90AA1 P07900 2/20 0.53
MC4R P32245 2/20 0.53
UBE2N P61088 2/20 0.53
RAD52 P43351 2/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 6/20 0.50
LMNA P02545 5/20 0.50
CYP2D6 P10635 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50
HTR1A P08908 3/20 0.50
ADRA2A P08913 3/20 0.50
DRD2 P14416 3/20 0.50

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
SCHEMBL4469449 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1774984 0.99 MEN1 (0.57) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1774982 0.99 MEN1 (0.57) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL3939116 0.89 ALDH1A1 (0.65) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL12604820 0.88 MEN1 (0.74) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL12604821 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1775221 0.87 MEN1 (0.60) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1776114 0.87 MEN1 (0.73) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1776111 0.87 MEN1 (0.73) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1775222 0.87 MEN1 (0.60) MEN1KMT2AALDH1A1USP2APAF1

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-7589083-B2 [3-(3,4-Dimethyl-9-oxo-9H- thioxanthen-2-yloxy)-2- hydroxypropyl]trimethyl- ammonium chloride; antitumor; simultaneously enhancing the efficacy and decreasing the toxicity of chemotherapy by single agents CANCURE LABORATORIES, LLC (US) 2009-09-15 US disclosed
US-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2007-03-15 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-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ALPP, DNTT, ALPG MEN1 3192/4885KMT2A 771/4885ALDH1A1 2158/4885

“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.