SCHEMBL21885987

SCHEMBL21885987

CC(C)NS(=O)(=O)Cc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.33
S1PR1 P21453 1/20 0.33
AURKA O14965 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24367419 0.85 KDM4E (0.36) KMT2APKMALDH1A1HTTMEN1
SCHEMBL21886081 0.81 APLNR (0.39) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL21886083 0.80 NPSR1 (0.33) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL21886085 0.80 APLNR (0.42) ALDH1A1
SCHEMBL18571273 0.79 LMNA (0.46) KMT2AALDH1A1HTTMEN1ATM
SCHEMBL22446918 0.72 NPSR1 (0.38) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL21885988 0.72 ALDH1A1 (0.36) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL1998707 0.71 ALDH1A1 (0.63) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL18571274 0.70 ALDH1A1 (0.49) KMT2APKMALDH1A1HTTMEN1
SCHEMBL2376241 0.70 LMNA (0.38) KMT2APKMALDH1A1HTTAURKA

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 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 (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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 KMT2A 3033/4885PKM 1299/4885ALDH1A1 2722/4885

“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.