SCHEMBL21234752

SCHEMBL21234752

CN(CC(=O)O)c1cc2sc3cc(/C=C(\C#N)c4nc5ccccc5s4)sc3c2s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ RECQL P46063 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44

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
SCHEMBL21037404 0.87 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20994201 0.87 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20994200 0.87 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21036989 0.79 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16532912 0.76 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21234839 0.76 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21234726 0.73 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL18032712 0.73 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21234688 0.72 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21036844 0.71 MAPT (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 3709/4885KMT2A 3545/4885MAPT 2048/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B MEN1 3709/4885KMT2A 3545/4885MAPT 2048/4885

“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.

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