SCHEMBL5216876

SCHEMBL5216876

c1ccc2oc(N3CCC[N]CC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SORD Q00796 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
CHRNA7 P36544 1/20 0.49
HTR3A P46098 1/20 0.49
ELANE P08246 2/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
KCNH2 Q12809 1/20 0.44
CRBN Q96SW2 1/20 0.43

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
SCHEMBL2201069 0.94 CHRNA7 (0.54) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL5021493 0.87 ELANE (0.61) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL31472604 0.87 ELANE (0.61) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL30903262 0.87 ELANE (0.57) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL2624458 0.85 SORD (0.58) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL5021503 0.85 ELANE (0.62) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL1981175 0.85 ELANE (0.62) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL3072495 0.80 PIK3CG (0.44) HCRTR1HCRTR2
SCHEMBL30582934 0.80 LMNA (0.50) LMNASMN1; SMN2SORDHTTMAPT
SCHEMBL1713373 0.79 SORD (0.55) LMNASMN1; SMN2SORDHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725538-B1 PYRIDAZINONE UREAS AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2007-08-29 EP claimed
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins JANSSEN PHARMACEUTICA,N.V. (BE) 2005-09-22 US claimed
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
EP-1725538-B1 PYRIDAZINONE UREAS AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2007-08-29 EP disclosed
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins JANSSEN PHARMACEUTICA,N.V. (BE) 2005-09-22 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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 LMNA 3577/4885SMN1; SMN2 2275/4885SORD 2287/4885
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins ITGA4, ITGB4, ITGB7 LMNA 1659/4885SMN1; SMN2 3062/4885SORD 3571/4885

“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.