SCHEMBL3682876

SCHEMBL3682876

CC[N+](CC)(CC)CC/C=C1/c2ccccc2Sc2ccc(C)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
USP2 O75604 5/20 0.51
APAF1 O14727 2/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 2/20 0.51
MC4R P32245 2/20 0.51
UBE2N P61088 2/20 0.51
RAD52 P43351 2/20 0.51
RCE1 Q9Y256 1/20 0.51
MAPT P10636 1/20 0.51
CYP3A4 P08684 6/20 0.48
LMNA P02545 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
HTR1A P08908 3/20 0.48
ADRA2A P08913 3/20 0.48
DRD2 P14416 3/20 0.48
ADRA1A P35348 3/20 0.48

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
SCHEMBL3682878 1.00 MEN1 (0.59) MEN1KMT2AUSP2APAF1POLB
Iodide SCHEMBL1774916 0.99 MEN1 (0.58) MEN1KMT2AUSP2APAF1POLB
Iodide SCHEMBL1776353 0.99 MEN1 (0.58) MEN1KMT2AUSP2APAF1POLB
SCHEMBL12604824 0.91 MEN1 (0.53) MEN1KMT2AUSP2APAF1POLB
Bromide SCHEMBL1774760 0.90 MEN1 (0.54) MEN1KMT2AUSP2APAF1POLB
Bromide SCHEMBL1775522 0.90 MEN1 (0.54) MEN1KMT2AUSP2APAF1POLB
SCHEMBL12604820 0.89 MEN1 (0.74) MEN1KMT2AUSP2APAF1POLB
SCHEMBL12604821 0.89 MEN1 (0.61) MEN1KMT2AUSP2APAF1POLB
Iodide SCHEMBL1776114 0.88 MEN1 (0.73) MEN1KMT2AUSP2APAF1POLB
Iodide SCHEMBL1775221 0.88 MEN1 (0.60) MEN1KMT2AUSP2APAF1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943606-B2 Compositions and methods to control abnormal cell growth CANCURE LABORATORIES, LLC (US) 2011-05-17 US disclosed
US-7943606-B2 Compositions and methods to control abnormal cell growth CANCURE LABORATORIES, LLC (US) 2011-05-17 US disclosed
US-7781423-B2 Compounds to promote regeneration of bone marrow CANCURE LABORATORIES, LLC (US) 2010-08-24 US disclosed
US-7781423-B2 Compounds to promote regeneration of bone marrow CANCURE LABORATORIES, LLC (US) 2010-08-24 US disclosed
US-7781423-B2 Compounds to promote regeneration of bone marrow CANCURE LABORATORIES, LLC (US) 2010-08-24 US disclosed
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-02-25 US disclosed
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-02-25 US disclosed
US-20090317372-A1 SMALL MOLECULES FOR THE REDUCTION OF HIGH BLOOD GLUCOSE LEVEL KISS ZOLTAN 2009-12-24 US disclosed
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-20090030066-A1 SMALL MOLECULES FOR THE PROTECTION OF PANCREATIC CELLS ZOLTAN LABORATORIES LLC (US) 2009-01-29 US disclosed
US-20090030066-A1 SMALL MOLECULES FOR THE PROTECTION OF PANCREATIC CELLS ZOLTAN LABORATORIES LLC (US) 2009-01-29 US disclosed
US-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES LLC (US) 2009-01-01 US disclosed
US-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES LLC (US) 2009-01-01 US disclosed
US-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES LLC (US) 2009-01-01 US disclosed
US-20080234234-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES, LLC (US) 2008-09-25 US disclosed
US-20080234234-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES, LLC (US) 2008-09-25 US disclosed
US-7423029-B1 from endogenous or exogenous stem/progenitor cells and to normalize blood cell and platelet counts; e.g. [3-(3,4-dimethyl-9-oxo-9H-thioxanthen-2-yloxy)-2-hydroxypropyl]trimethylammonium chloride; antitumor and AIDS agent; low toxicity, side effect reduction ZOLTAN LABORATORIES, LLC (US) 2008-09-09 US disclosed
US-20080207738-A1 DRUG COMBINATIONS TO TREAT DRUG RESISTANT TUMORS CANCURE LABORATORIES, LLC (US) 2008-08-28 US disclosed
US-20080207738-A1 DRUG COMBINATIONS TO TREAT DRUG RESISTANT TUMORS CANCURE LABORATORIES, LLC (US) 2008-08-28 US disclosed
US-20080114055-A1 Thioxanthone Compounds to Reverse Weight Loss ZOLTAN LABORATORIES LLC (US) 2008-05-15 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 (7 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-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW PDGFA, BMP4, BMP2 MEN1 3017/4885KMT2A 3032/4885USP2 4204/4885
US-20090317372-A1 SMALL MOLECULES FOR THE REDUCTION OF HIGH BLOOD GLUCOSE LEVEL KCNN1, KCNN3, SLC2A9 MEN1 821/4885KMT2A 2305/4885USP2 3248/4885
US-20080114055-A1 Thioxanthone Compounds to Reverse Weight Loss TET1, TCOF1, CPT1B MEN1 1453/4885KMT2A 925/4885USP2 1859/4885
US-20080207738-A1 DRUG COMBINATIONS TO TREAT DRUG RESISTANT TUMORS ABCC1, BRCA1, VHL MEN1 609/4885KMT2A 1839/4885USP2 1348/4885
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH ALPP, ALPG, MKI67 MEN1 2734/4885KMT2A 2531/4885USP2 3597/4885
US-20090030066-A1 SMALL MOLECULES FOR THE PROTECTION OF PANCREATIC CELLS RNASE1, IAPP, POT1 MEN1 955/4885KMT2A 3699/4885USP2 1948/4885
US-20080234234-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW PDGFA, BMP4, BMP2 MEN1 3017/4885KMT2A 3032/4885USP2 4204/4885

“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.