SCHEMBL17844148

SCHEMBL17844148

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2ccccc2F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB4 Q15303 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 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) L3MBTL1TDP1KDM4EALDH1A1GAA
SCHEMBL17844246 0.88 HCRTR1 (0.39) KMT2ARAB9AKDM4EALDH1A1MEN1
SCHEMBL17844130 0.88 DRD2 (0.41) KMT2ARAB9AMAPTL3MBTL1TDP1
SCHEMBL17844169 0.83 SCN9A (0.36) KMT2AKDM4EMEN1
SCHEMBL5186747 0.83 PTPN2 (0.37) RAB9AL3MBTL1NPC1
SCHEMBL17844247 0.82 HTR1B (0.39) KMT2ARAB9AMAPTL3MBTL1KDM4E
SCHEMBL17844236 0.82 DRD2 (0.44) KMT2ARAB9AKDM4EALDH1A1MEN1
SCHEMBL17844178 0.81 DRD4 (0.43) KMT2AMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL17844176 0.81 ADORA3 (0.35)
SCHEMBL17844232 0.80 DRD2 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO 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-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KMT2A 729/4885RAB9A 1889/4885MAPT 3623/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 KMT2A 1900/4885RAB9A 3971/4885MAPT 4774/4885

“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.