SCHEMBL21036835

SCHEMBL21036835

COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(N(C)CCO)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
MITF O75030 1/20 0.50
MDM2 Q00987 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 5/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.45
APP P05067 1/20 0.43
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL21160438 0.87 ALDH1A1 (0.49) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL18220160 0.83 LMNA (0.49) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL21160410 0.82 MAPT (0.64) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL22313945 0.82 LMNA (0.40) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL18220157 0.80 ALDH1A1 (0.46) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL24089831 0.80 LMNA (0.60) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL18220162 0.80 LMNA (0.48) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL21037329 0.79 MAPT (0.48) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL24089695 0.76 LMNA (0.44) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL22313635 0.76 MAPT (0.42) LMNAALDH1A1KMT2AMEN1HPGD

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