SCHEMBL2643548

SCHEMBL2643548

O=C(Nc1ccccn1)OCCC1c2c(F)cccc2C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CHRM3 P20309 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
DHODH Q02127 1/20 0.37
CCNB2 O95067 1/20 0.36
LCK P06239 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL2643060 0.88 KCNH2 (0.40) TSHRMAPTKDM4EALDH1A1KCNH2
SCHEMBL2643774 0.87 KDM4E (0.47) TSHRMAPTKDM4EALDH1A1CYP1A2
SCHEMBL2655509 0.86 CHRM3 (0.38) KDM4ECHRM3DHODHCCNB2LCK
SCHEMBL15925791 0.80 KDM4E (0.48) TSHRMAPTKDM4EALDH1A1CYP1A2
SCHEMBL2644231 0.79 KDM4E (0.46) TSHRMAPTKDM4EALDH1A1CYP1A2
SCHEMBL2643618 0.77 MAPT (0.40) TSHRMAPTKDM4EALDH1A1CYP1A2
SCHEMBL2644280 0.77 MAPT (0.42) TSHRMAPTKDM4EALDH1A1CYP1A2
SCHEMBL2643760 0.75 WNT3A (0.42) MAPTKDM4EALDH1A1
SCHEMBL2644875 0.75 SMN1; SMN2 (0.47) TSHRMAPTKDM4EALDH1A1
SCHEMBL2643582 0.75 MAPT (0.40) MAPTKDM4EALDH1A1CYP1A2CYP3A4

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 TSHR 3340/4885MAPT 3322/4885KDM4E 1206/4885

“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.