SCHEMBL21160465

SCHEMBL21160465

CN(CCO)c1cc2c(s1)-c1sc(/C=C(\C#N)C(=O)OC(C)(C)C)cc1C2(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
RPS6KA3 P51812 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
SCHEMBL21234720 0.88 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL21234732 0.86 MAPT (0.32)
SCHEMBL21160689 0.86
SCHEMBL24089638 0.85 RPS6KA3 (0.33) MEN1ALDH1A1KMT2ARPS6KA3
SCHEMBL21234930 0.83 MEN1 (0.32) MEN1ALDH1A1KMT2ARPS6KA3
SCHEMBL21234690 0.83 MEN1 (0.32) MEN1ALDH1A1KMT2ARPS6KA3
SCHEMBL21036998 0.82 RPS6KA3 (0.36) MEN1ALDH1A1KMT2ARPS6KA3
SCHEMBL22314056 0.82
SCHEMBL21037880 0.81 MEN1 (0.34) MEN1ALDH1A1KMT2ARPS6KA3
SCHEMBL21160619 0.80 RPS6KA3 (0.34) MEN1ALDH1A1KMT2ARPS6KA3

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2099/4885ALDH1A1 3152/4885KMT2A 4751/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN MEN1 1100/4885ALDH1A1 3475/4885KMT2A 4790/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885ALDH1A1 3152/4885KMT2A 4751/4885

“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.