SCHEMBL17554451

SCHEMBL17554451

CC(C)(C)OC(=O)N1CC(COc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
KDM4A O75164 1/20 0.43
P2RX3 P56373 1/20 0.42
NAMPT P43490 1/20 0.42
ADAM17 P78536 2/20 0.41
GPR119 Q8TDV5 5/20 0.40
BTK Q06187 1/20 0.39
YAP1 P46937 1/20 0.39
MMP12 P39900 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
SCHEMBL17560100 0.85 MAOB (0.57) MAOBMMP2MMP9KDM4A
SCHEMBL17554504 0.83 SLC5A1 (0.46) SLC5A1SLC5A2NAMPTADAM17GPR119
SCHEMBL17554450 0.82 GPR119 (0.52) MAOBMMP2MMP9P2RX3GPR119
SCHEMBL17554430 0.82 MAPT (0.61) MAOBMMP2MMP9P2RX3NAMPT
SCHEMBL25298752 0.81 PRMT5 (0.45) MAOBP2RX3NAMPT
SCHEMBL30389105 0.81 GPR119 (0.44) GPR119BTKYAP1
SCHEMBL30388978 0.81 GPR119 (0.44) GPR119BTKYAP1
SCHEMBL30388632 0.81 GPR119 (0.44) GPR119BTKYAP1
SCHEMBL796329 0.80 NAMPT (0.54) SLC5A1SLC5A2NAMPTGPR119
SCHEMBL22348727 0.80 ALDH1A1 (0.42) SLC5A1SLC5A2NAMPTGPR119BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 US disclosed
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-09-14 US disclosed
EP-2993175-A1 Thienopyrroles as histone demethylase inhibitors IEO - Istituto Europeo di Oncologia Srl (IT) 2016-03-09 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-10183952-B2 Thienopyrroles as histone demethylase inhibitors KDM1A, KDM1B, KDM3A MAOB 1546/4885SLC5A1 1650/4885SLC5A2 2701/4885
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS KDM1A, KDM1B, KDM3A MAOB 1546/4885SLC5A1 1650/4885SLC5A2 2701/4885

“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.