SCHEMBL21037398

SCHEMBL21037398

CC(C)(C)/C=C(\C#N)c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
RECQL P46063 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
MITF O75030 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL22313914 0.83 NFKB1 (0.46) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL21234676 0.81 KDM4E (0.47) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL22313950 0.80 RAB9A (0.47) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL21160713 0.78 MEN1 (0.60) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL22849991 0.78 SMN1; SMN2 (0.59) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL31326827 0.75 APP (0.46) SMN1; SMN2NFKB1NFKB2RELAKDM4E
Hydrochloric Acid SCHEMBL11597042 0.74 KDM4E (0.62) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL21160712 0.74 TTR (0.43) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL14880240 0.72 KDM4E (0.59) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL1261509 0.70 NPC1 (0.75) SMN1; SMN2NFKB1NFKB2RELAKDM4E

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 6 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-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 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 SMN1; SMN2 1496/4885NFKB1 3056/4885NFKB2 2844/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B SMN1; SMN2 1668/4885NFKB1 2596/4885NFKB2 2718/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF SMN1; SMN2 1496/4885NFKB1 3056/4885NFKB2 2844/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B SMN1; SMN2 1668/4885NFKB1 2596/4885NFKB2 2718/4885

“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.