SCHEMBL3822994

SCHEMBL3822994

COc1ccc(CNC(=O)N(S)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
EPHX2 P34913 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
APLNR P35414 1/20 0.47
CXCR3 P49682 1/20 0.47

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
SCHEMBL10936984 0.81 ALDH1A1 (0.59) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL29221787 0.79 NPC1 (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7096077 0.79 GAA (0.49) ALDH1A1RAB9AMEN1KMT2AHPGD
SCHEMBL2428039 0.78 CASR (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1064750 0.78 ALDH1A1 (0.51) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL24576223 0.77 NPC1 (0.71) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL16562180 0.77 ALDH1A1 (0.69) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL1695235 0.75 NPC1 (0.66) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL2721206 0.75 ALDH1A1 (0.65) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL15514376 0.75 ALDH1A1 (0.65) ALDH1A1PKMNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479370-B1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same USA (US) 2009-07-08 EP disclosed
US-7169815-B2 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2007-01-30 US disclosed
EP-1280495-B1 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME US AGRICULTURE (US) 2006-11-22 EP disclosed
US-7053243-B2 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION (US) 2006-05-30 US disclosed
EP-1479370-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same The United States of America (US) 2004-11-24 EP disclosed
US-20040030188-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same SECRETARY OF AGRICULTURE 2004-02-12 US disclosed
US-6653505-B2 Oxidation resistance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-11-25 US disclosed
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-10-30 US disclosed
US-6586628-B2 Oxidation resistance THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-07-01 US disclosed
EP-1280495-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME Abbott, Thomas, P. (US) 2003-02-05 EP disclosed
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2002-10-10 US disclosed
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2001-12-27 US disclosed
WO-2001085681-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME THE FANNING CORPORATION (US) 2001-11-15 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 (4 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-20040030188-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885PKM 2458/4885NPC1 544/4885
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885PKM 2458/4885NPC1 544/4885
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885PKM 2458/4885NPC1 544/4885
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885PKM 2458/4885NPC1 544/4885

“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.