SCHEMBL21036809

SCHEMBL21036809

CN(CCOC(=O)NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1)c1ccc(/C=C(\C#N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
RECQL P46063 2/20 0.35
USP2 O75604 1/20 0.35
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
NTSR1 P30989 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
SCHEMBL21036946 0.92 PIN1 (0.35) PIN1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21037282 0.91 MEN1 (0.37) PIN1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21037402 0.91 PIN1 (0.37) PIN1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21037356 0.91 PIN1 (0.35) PIN1MEN1KMT2AL3MBTL1TDP1
SCHEMBL24089686 0.90 PIN1 (0.34) PIN1MEN1KMT2AL3MBTL1MGMT
SCHEMBL24089703 0.90 KDM4E (0.35) PIN1MEN1KMT2AALDH1A1RECQL
SCHEMBL21037060 0.90 PIN1 (0.33) PIN1MAPT
SCHEMBL24089666 0.89 PIN1 (0.33) PIN1MEN1KMT2AL3MBTL1POLB
SCHEMBL21036992 0.89 PIN1 (0.33) PIN1
SCHEMBL21037244 0.89 PIN1 (0.33) PIN1

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-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 (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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF PIN1 2145/4885MEN1 2099/4885KMT2A 4751/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF PIN1 2145/4885MEN1 2099/4885KMT2A 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.