SCHEMBL17601889

SCHEMBL17601889

O=Cc1c(O)ccc2c3c(c(=O)oc12)CN(Cc1ccc(F)cc1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 1.00
DRD2 P14416 7/20 0.57
DRD4 P21917 7/20 0.57
DRD3 P35462 5/20 0.57
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL17615422 0.90 ERN1 (0.82) ERN1DRD2DRD4DRD3KDM4E
SCHEMBL17601909 0.90 ERN1 (1.00) ERN1DRD2DRD4DRD3
SCHEMBL16197847 0.80 ERN1 (1.00) ERN1DRD2DRD4DRD3KDM4E
SCHEMBL17601922 0.77 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17615419 0.75 ERN1 (0.70) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL21101440 0.75 ERN1 (0.74) ERN1DRD2DRD4DRD3KDM4E
SCHEMBL17601914 0.75 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17615420 0.74 ERN1 (0.68) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17615429 0.74 ERN1 (0.68) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197814 0.74 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-09-05 US disclosed
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-04-02 US disclosed
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-04-06 US disclosed
US-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-06-18 US disclosed
US-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-06-18 US disclosed
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-24 US disclosed
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-24 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 (5 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-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, ERN1, SREBF1 ERN1 2/4885DRD2 4261/4885DRD4 4683/4885
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, RRP1B, ERN1 ERN1 3/4885DRD2 4109/4885DRD4 4378/4885
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885DRD2 4806/4885DRD4 4766/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885DRD2 4806/4885DRD4 4766/4885
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS DDIT3, NFATC1, MCL1 ERN1 57/4885DRD2 4670/4885DRD4 4717/4885

“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.