SCHEMBL4907149

SCHEMBL4907149

FC(F)(F)c1cnc(N2CC[N]CC2)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
SMN1; SMN2 Q16637 7/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD11B1 P28845 1/20 0.52

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
SCHEMBL9105524 0.87 POLB (0.75) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1999759 0.84 POLB (0.71) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL3928781 0.83 POLB (0.69) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL232841 0.83 POLB (0.69) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14136353 0.83 SMN1; SMN2 (0.70) POLBSMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL25310714 0.82 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14500079 0.82 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL2966520 0.82 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL2006539 0.81 POLB (0.66) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL12267527 0.81 POLB (0.66) POLBSMN1; SMN2LMNANPC1RAB9A

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 8 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
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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
EP-1069124-B1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER (US) 2004-05-12 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 (3 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 POLB 4090/4885SMN1; SMN2 2275/4885LMNA 3577/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 POLB 2920/4885SMN1; SMN2 4722/4885LMNA 4314/4885
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins ITGA4, ITGB4, ITGB7 POLB 2837/4885SMN1; SMN2 3062/4885LMNA 1659/4885

“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.