SCHEMBL1472457

SCHEMBL1472457

O=C1Cc2ccccc2Sc2sccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 4/20 0.62
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
BLM P54132 2/20 0.44
HRH1 P35367 3/20 0.44
HRH4 Q9H3N8 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
CHRM3 P20309 2/20 0.44

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
SCHEMBL5922185 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL11961442 0.78 KMT2A (0.54) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3749553 0.77 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL11557945 0.73 HPGD (0.62) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL563323 0.73 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL6714107 0.72 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5658125 0.70 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5922017 0.70 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5922102 0.70 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL14003274 0.69 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404729-B2 Heterocyclic tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-03-26 US disclosed
US-8404729-B2 Heterocyclic tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-03-26 US disclosed
EP-1846415-B1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES AS 5HT2 INHIBITORS IN THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 EP disclosed
US-20110144094-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA 2011-06-16 US disclosed
US-20110144094-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA 2011-06-16 US disclosed
US-7915249-B2 serotonin 5-HT2A, 5-HT2C and dopamin D2 receptors antagonist, and norepinephrine reuptake inhibitor; antidepressant, anxiolytic agent; psychosis, schizophrenia, bipolar and sexual disorders, obesity JANSSEN PHARMACEUTICAL NV (BE) 2011-03-29 US disclosed
US-7915249-B2 serotonin 5-HT2A, 5-HT2C and dopamin D2 receptors antagonist, and norepinephrine reuptake inhibitor; antidepressant, anxiolytic agent; psychosis, schizophrenia, bipolar and sexual disorders, obesity JANSSEN PHARMACEUTICAL NV (BE) 2011-03-29 US disclosed
US-20080108599-A1 Heterocyclic Tetracyclic Tetrahydrofuran Derivatives As 5Ht2 Inhibitors In The Treatment Of Cns Disorders JANSSEN-CILAG S.A. (ES) 2008-05-08 US disclosed
US-20080108599-A1 Heterocyclic Tetracyclic Tetrahydrofuran Derivatives As 5Ht2 Inhibitors In The Treatment Of Cns Disorders JANSSEN-CILAG S.A. (ES) 2008-05-08 US disclosed
EP-1846415-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES AS 5HT2 INHIBITORS IN THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006079637-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES AS 5HT2 INHIBITORS IN THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 WO disclosed
US-4171366-A 1-Naphthothienylalkyl-1H-imidazoles CIBA-GEIGY CORPORATION (US) 1979-10-16 US disclosed
US-4045570-A Heterocyclic S-imino-S-oxides CIBA-GEIGY CORPORATION (US) 1977-08-30 US 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-20080108599-A1 Heterocyclic Tetracyclic Tetrahydrofuran Derivatives As 5Ht2 Inhibitors In The Treatment Of Cns Disorders HTR2C, HTR2A, TPH2 ALDH1A1 580/4885HPGD 620/4885KDM4E 4647/4885
US-20110144094-A1 HETEROCYCLIC TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR5A ALDH1A1 346/4885HPGD 444/4885KDM4E 4710/4885

“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.