SCHEMBL17835869

SCHEMBL17835869

Nc1c2ccc(Cl)cc2nc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.49
ACHE P22303 6/20 0.47
BCHE P06276 2/20 0.47
CHRM1 P11229 2/20 0.47
EPHX2 P34913 1/20 0.47
SOS2 Q07890 1/20 0.46
KMT2A Q03164 1/20 0.44
PRMT5 O14744 1/20 0.44
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL1008420 0.79 NR4A2 (0.50) NR4A2ACHEBCHECHRM1EPHX2
SCHEMBL7795994 0.78 ACHE (0.67) NR4A2ACHEBCHECHRM1EPHX2
SCHEMBL406499 0.74 NR4A2 (0.51) NR4A2SOS2KMT2AESR1ESR2
SCHEMBL15281215 0.72 NR4A2 (0.50) NR4A2ACHEBCHECHRM1EPHX2
SCHEMBL1062946 0.70 ADORA3 (0.55) NR4A2ACHEBCHESOS2CCR1
SCHEMBL11057550 0.68 ACHE (0.67) ACHEBCHECHRM1KMT2APOLB
SCHEMBL17423119 0.67 POLB (0.55) NR4A2ACHEBCHECHRM1EPHX2
SCHEMBL9709249 0.67 MAOA (0.72) NR4A2ACHECHRM1ESR1ESR2
SCHEMBL20008613 0.67 NR4A2 (0.53) NR4A2ACHEBCHECHRM1EPHX2
SCHEMBL4540441 0.67 APP (0.58) NR4A2ACHEBCHECHRM1EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180263943-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITAT DE VALÈNCIA, ESTUDI GENERAL (ES) 2018-09-20 US disclosed
EP-3034074-A1 Compound for treatment of myotonic dystrophy type 1 Universitat De València, Estudi General (ES) 2016-06-22 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 (1 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-20180263943-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 MBNL1, SMN1; SMN2, SQSTM1 NR4A2 2562/4885ACHE 4376/4885BCHE 4201/4885

“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.