SCHEMBL18550697

SCHEMBL18550697

Cc1cc(F)cc(C)c1NC(N)=S

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL5462283 0.83 ALDH1A1 (0.50) L3MBTL1CYP1A2LMNAALDH1A1RAPGEF4
SCHEMBL11140707 0.82 ALDH1A1 (0.41) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL11881583 0.79 RAPGEF4 (0.38) LMNAALDH1A1GAARAPGEF4MAPT
SCHEMBL11918917 0.79 ALDH1A1 (0.56) L3MBTL1CYP1A2ALDH1A1HTTMAPT
SCHEMBL18550693 0.79 GAA (0.47) L3MBTL1CYP1A2LMNAALDH1A1GAA
SCHEMBL5525050 0.79 SIGMAR1 (0.50) L3MBTL1LMNAALDH1A1GAAMAPT
SCHEMBL144202 0.78 KMT2A (0.50) L3MBTL1CYP1A2ALDH1A1GAARAPGEF4
SCHEMBL11919007 0.76 FFAR4 (0.41) L3MBTL1CYP1A2ALDH1A1HTTMAPT
SCHEMBL1192648 0.75 GAA (0.67) L3MBTL1ALDH1A1HTTGAAMAPT
SCHEMBL6835277 0.75 ALDH1A1 (0.51) L3MBTL1LMNAALDH1A1HTTGAA

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 L3MBTL1 3880/4885CYP1A2 425/4885LMNA 4621/4885

“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.