SCHEMBL624186

SCHEMBL624186

O=S1(=O)CCN2C=CC=CC2=N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL870972 0.66
SCHEMBL2162391 0.65 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5429782 0.63 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6850246 0.62 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL892819 0.60 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL869773 0.60 RAB9A (0.40) ALDH1A1KDM4EHPGDHSD17B10GAA
Bromide SCHEMBL3576597 0.59 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL11326257 0.58 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4554180 0.58 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL15057332 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 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 (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-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885KDM4E 1330/4885HPGD 889/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885KDM4E 1330/4885HPGD 889/4885

“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.