SCHEMBL21234870

SCHEMBL21234870

COC(=O)/C(C#N)=C/c1cc2sc3cc(N(CC(=O)O)CC(=O)O)sc3c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SLC16A1 P53985 3/20 0.33
LMNA P02545 2/20 0.33
TNNI3 P19429 1/20 0.33
CRHBP P24387 1/20 0.33
TNNT2 P45379 1/20 0.33
KLK7 P49862 1/20 0.33
TNNC1 P63316 1/20 0.33
CRHR2 Q13324 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL21234869 0.75 GPR35 (0.35)
SCHEMBL21234755 0.74 KMT2A (0.34) ALDH1A1KMT2AMEN1MAPT
SCHEMBL21160619 0.71 RPS6KA3 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL21234932 0.67 TOP1 (0.35) MAPTKDM4ESLC16A1LMNAPOLB
SCHEMBL21234849 0.66 GPR35 (0.33)
SCHEMBL18060196 0.65 KMT2A (0.51) ALDH1A1KMT2AMEN1APPSNCA
SCHEMBL21234753 0.65 APP (0.39) ALDH1A1KMT2AMEN1APPSNCA
SCHEMBL18060198 0.65 KMT2A (0.51) ALDH1A1KMT2AMEN1APPSNCA
SCHEMBL21234694 0.65 ADORA2A (0.43) ALDH1A1KMT2AMEN1APPSNCA
SCHEMBL22295850 0.63 MAPT (0.39) ALDH1A1MAPTKDM4ESLC16A1

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-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B ALDH1A1 422/4885KMT2A 3545/4885MEN1 3709/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B ALDH1A1 422/4885KMT2A 3545/4885MEN1 3709/4885

“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.