SCHEMBL18550671

SCHEMBL18550671

Cc1csc(NC(=S)NC(=O)c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
MAPT P10636 4/20 0.62
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GCK P35557 2/20 0.56
SCD O00767 1/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 1/20 0.55
EPHX1 P07099 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RCE1 Q9Y256 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL1270190 0.86 NPC1 (1.00) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL2379466 0.83 MAPT (0.80) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL28475830 0.80 RAB9A (0.76) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL10465827 0.79 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10465760 0.79 NPC1 (0.65) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL12783890 0.78 MAPT (0.73) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL27403216 0.77 NPC1 (0.61) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL27403215 0.76 NPC1 (0.60) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL9297809 0.76 NPC1 (0.60) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL11495113 0.75 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 12 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
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
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
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 2256/4885MAPT 2397/4885

“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.