SCHEMBL2644737

SCHEMBL2644737

O=C(O)CCC1c2c(F)cccc2C(=O)N1Cc1ccc(-n2cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
NSD2 O96028 1/20 0.40
GRK2 P25098 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.33
MDM2 Q00987 2/20 0.33

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
SCHEMBL2644689 0.88 MAPT (0.43) POLBCTDSP1MEN1KMT2AALDH1A1
SCHEMBL2644355 0.83 PARP1 (0.37) MAPK1ALDH1A1MAPTTDP1
SCHEMBL2643920 0.83 HCRTR1 (0.36) POLBNSD2GRK2CASP6CTDSP1
SCHEMBL2643303 0.81 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2AMAPK1
SCHEMBL2645436 0.78 KDM4E (0.45) CTDSP1MEN1KMT2AALDH1A1MAPT
SCHEMBL2643582 0.75 MAPT (0.40) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL2644694 0.73 MAPT (0.39) POLBHCRTR1HCRTR2MEN1KMT2A
SCHEMBL2643817 0.73 HTT (0.37) CTDSP1MEN1KMT2AMAPT
SCHEMBL2645157 0.73 MAPT (0.41) ALDH1A1MAPTLMNA
SCHEMBL2644438 0.72 MAPT (0.54) MEN1KMT2AMAPK1MAPTMDM2

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 2 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-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 POLB 3583/4885NSD2 3411/4885GRK2 49/4885

“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.