SCHEMBL2643582

SCHEMBL2643582

O=C1c2cccc(F)c2C(CCO)N1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CASP3 P42574 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
UBE2N P61088 1/20 0.40
ATM Q13315 1/20 0.40
HCRTR2 O43614 4/20 0.39
HCRTR1 O43613 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2644694 0.93 MAPT (0.39) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2644689 0.87 MAPT (0.43) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2664954 0.85 CASP3 (0.39) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2664915 0.85 CASP3 (0.39) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL27746396 0.83 ALDH1A1 (0.43) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2643554 0.82 MAPT (0.38) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2643618 0.78 MAPT (0.40) MAPTLMNAL3MBTL1CYP1A2CYP2C19
SCHEMBL2643774 0.77 KDM4E (0.47) MAPTCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL2645436 0.76 KDM4E (0.45) MAPTCASP3LMNAL3MBTL1HPGD
SCHEMBL2644848 0.76 MAPT (0.37) MAPTLMNACYP1A2CYP2C19CYP3A4

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 4 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
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 MAPT 3322/4885CASP3 4136/4885LMNA 4676/4885

“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.