SCHEMBL23229192

SCHEMBL23229192

COC(=O)c1nc2ccn(COCCS(C)(C)C)c2nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
S1PR4 O95977 1/20 0.30
DRD2 P14416 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL21483126 0.89 BACE1 (0.35) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL23208875 0.86 DGAT1 (0.39) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL23229522 0.79
SCHEMBL23229510 0.79 YTHDC1 (0.31)
SCHEMBL23125912 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL29625054 0.76 BACE1 (0.37) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL21483128 0.76 BACE1 (0.37) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL24521464 0.73 DGAT1 (0.36) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL23229422 0.73 CXCR3 (0.30)
SCHEMBL21482943 0.67 PNP (0.31) KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 ALDH1A1 703/4885KDM4E 2767/4885GAA 878/4885

“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.