SCHEMBL21037038

SCHEMBL21037038

COCCNC(=O)/C(C#N)=C/c1cc2cc3sc(N(C)CCO)cc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
MITF O75030 1/20 0.48
MDM2 Q00987 1/20 0.48
KDM4E B2RXH2 6/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL21234715 0.84 ALDH1A1 (0.49) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21160438 0.80 ALDH1A1 (0.49) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21037880 0.79 MEN1 (0.34) KMT2AALDH1A1MEN1
SCHEMBL21234748 0.79 KMT2A (0.51) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21234674 0.78 KMT2A (0.55) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21036835 0.75 LMNA (0.50) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21234717 0.74 APP (0.35)
SCHEMBL21234738 0.74 ATM (0.35) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL24089695 0.74 LMNA (0.44) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL21160462 0.73 MAPT (0.35) LMNAKDM4EPOLBMAPT

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 KMT2A 4751/4885LMNA 257/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF KMT2A 4751/4885LMNA 257/4885ALDH1A1 3152/4885

“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.