SCHEMBL18550720

SCHEMBL18550720

O=C(NC(=S)Nc1ccccc1O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
EPHX1 P07099 4/20 0.69
ALDH1A1 P00352 3/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
P2RX4 Q99571 1/20 0.61
P2RX2 Q9UBL9 1/20 0.61
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL31741297 1.00 NPC1 (0.71) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL23978371 0.91 ALDH1A1 (0.68) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL6118209 0.90 EPHX1 (0.78) NPC1RAB9AEPHX1ALDH1A1MEN1
SCHEMBL18550732 0.86 EPHX1 (0.69) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL14096483 0.84 ALDH1A1 (0.74) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL8613625 0.83 EPHX1 (0.76) NPC1RAB9AEPHX1ALDH1A1GAA
SCHEMBL17897758 0.83 AKT1 (0.73) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL28439566 0.82 AKT1 (0.57) NPC1RAB9AEPHX1ALDH1A1POLB
SCHEMBL4946074 0.82 NPC1 (0.73) NPC1RAB9APOLBGAAMEN1
SCHEMBL1470784 0.82 NPC1 (0.73) NPC1RAB9APOLBGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 CN disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
CN-107041374-B Application of N-substituted aryl (arylformamido) -N' -substituted arylformyl thiourea compound in blue algae growth inhibition 华中师范大学 2020-05-05 CN disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 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-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 NPC1 2226/4885RAB9A 2256/4885EPHX1 1584/4885

“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.