SCHEMBL5199720

SCHEMBL5199720

CC(C)n1sc(-c2ccccc2)c(NC2CCN(c3ccccn3)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 7/20 0.42
HSD17B10 Q99714 3/20 0.42
PDE4B Q07343 1/20 0.41
PDE7A Q13946 1/20 0.41
MAPT P10636 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
KAT2B Q92831 1/20 0.39
ADRB2 P07550 1/20 0.39
CNR1 P21554 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A7 Q99884 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HMOX1 P09601 1/20 0.38
CNR2 P34972 1/20 0.37
DRD2 P14416 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
SCHEMBL5198908 0.90 KAT2B (0.41) HRH3ALDH1A1LMNATSHRKDM4E
SCHEMBL17844250 0.84 KAT2B (0.41) HRH3ALDH1A1LMNATSHRKDM4E
SCHEMBL5199137 0.80 SLC6A7 (0.46) KDM4ESLC6A7
SCHEMBL17844225 0.79 MAPK10 (0.42) PDE4BPDE7AMAPTMAPK1L3MBTL1
SCHEMBL17844147 0.78 GBA1 (0.35) PDE4BPDE7AMAPTMAPK1L3MBTL1
SCHEMBL2002420 0.75 HRH3 (0.43) HRH3ALDH1A1LMNATSHRKDM4E
SCHEMBL30411471 0.75 HRH3 (0.43) HRH3ALDH1A1LMNATSHRKDM4E
SCHEMBL17844172 0.73 GLS (0.43) SLC6A7
SCHEMBL17844219 0.72 CKS1B (0.38) HRH3PDE4BPDE7A
SCHEMBL17844240 0.71 CHRM4 (0.39) HRH3

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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 HRH3 1830/4885ALDH1A1 1591/4885LMNA 3596/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 HRH3 1830/4885ALDH1A1 1591/4885LMNA 3596/4885

“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.