SCHEMBL17844130

SCHEMBL17844130

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2ccccc2Cl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KCNH2 Q12809 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL17844244 0.88 MTNR1A (0.40) ALDH1A1NPC1LMNATSHRL3MBTL1
SCHEMBL17844148 0.88 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL17844178 0.85 DRD4 (0.43) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844246 0.83 HCRTR1 (0.39) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844230 0.83 DRD2 (0.46) DRD2DRD4MEN1KMT2ASMN1; SMN2
SCHEMBL5186747 0.83 PTPN2 (0.37) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL17844247 0.82 HTR1B (0.39) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844223 0.82 DRD2 (0.41) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844236 0.82 DRD2 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL17844180 0.82 KDM4E (0.37) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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 3 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

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 DRD2 4788/4885DRD4 4817/4885DRD3 4657/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 DRD2 4788/4885DRD4 4817/4885DRD3 4657/4885

“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.