SCHEMBL2643060

SCHEMBL2643060

O=C(Nc1ccccn1)OCCC1c2cccc(F)c2C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CHRM3 P20309 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL2643548 0.88 TSHR (0.42) KCNH2SCN5ASCN9ATSHRMAPT
SCHEMBL2669439 0.81 CHRM3 (0.35) KCNH2SCN5ASCN9ATSHRMAPT
SCHEMBL2643578 0.80 KDM4E (0.42) KDM4EALDH1A1KMT2A
SCHEMBL2655509 0.77 CHRM3 (0.38) KDM4EADORA2AADORA2BCHRM3DHODH
SCHEMBL2643774 0.76 KDM4E (0.47) KCNH2SCN5ASCN9ATSHRMAPT
SCHEMBL2643554 0.75 MAPT (0.38) MAPTALDH1A1KMT2A
SCHEMBL2643302 0.74 MAPT (0.38) TSHRMAPTKDM4EALDH1A1
SCHEMBL2645157 0.74 MAPT (0.41) MAPTKDM4EALDH1A1
SCHEMBL2643519 0.73 KDM4E (0.42) KDM4EALDH1A1KMT2A
SCHEMBL9071627 0.72 MAPT (0.37) KCNH2SCN5ASCN9ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 (1 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 KCNH2 671/4885SCN5A 869/4885SCN9A 2925/4885

“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.