SCHEMBL21036989

SCHEMBL21036989

CN(CCO)c1cc2sc(/C=C(\C#N)c3nc4ccccc4s3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ RECQL P46063 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47

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 0.92 MEN1 (0.47) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21160097 0.85 MEN1 (0.47) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21234730 0.85 MEN1 (0.45) MEN1KMT2AMAPTLMNARECQL
SCHEMBL16532912 0.84 MEN1 (0.66) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21036850 0.83 MEN1 (0.48) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21234688 0.83 MEN1 (0.46) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21037405 0.83 MAPT (0.46) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL21234874 0.82 MEN1 (0.41) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21234708 0.82 MEN1 (0.41) MEN1KMT2AMAPTLMNARECQL
SCHEMBL21037425 0.80 MEN1 (0.61) MEN1KMT2AMAPTLMNARECQL

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 5 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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 — — 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
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 — — US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 — — EP 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 (4 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885MAPT 2624/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B MEN1 3709/4885KMT2A 3545/4885MAPT 2048/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885MAPT 2624/4885
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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