SCHEMBL8044717

SCHEMBL8044717

COc1ccc(NC(=S)NNC(=O)c2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
RAB9A P51151 7/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 8/20 0.75
NPC1 O15118 6/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
TP53 P04637 1/20 0.73
GAA P10253 8/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
TDP1 Q9NUW8 2/20 0.70
KDM4E B2RXH2 3/20 0.67
HTT P42858 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL28130084 0.85 RAB9A (1.00) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL8043048 0.83 RAB9A (0.77) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL20513984 0.80 ALDH1A1 (0.66) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL20620309 0.77 RAB9A (0.73) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL11922435 0.76 CA1 (0.73) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL9528874 0.76 MAPT (1.00) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL31090324 0.76 GAA (0.62) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL10016495 0.76 RAB9A (0.71) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL7693650 0.76 GAA (1.00) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL28640790 0.75 GAA (0.61) ALDH1A1RAB9ALMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-11-25 US disclosed
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-02-25 US disclosed
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 US disclosed
WO-2015184011-A2 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-03 WO disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 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 (3 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-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 ALDH1A1 2095/4885RAB9A 2081/4885LMNA 2152/4885
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 ALDH1A1 2095/4885RAB9A 2081/4885LMNA 2152/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 ALDH1A1 2095/4885RAB9A 2081/4885LMNA 2152/4885

“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.