SCHEMBL2643902

SCHEMBL2643902

O=C1c2ccccc2C(CCCO)N1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
MDM2 Q00987 3/20 0.42
KCNA5 P22460 3/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2644660 0.84 KDM4E (0.53) MAPTCASP3MEN1KMT2AMAPK1
SCHEMBL2644438 0.84 MAPT (0.54) MAPTCASP3MDM2KCNA5KCNH2
SCHEMBL2644694 0.83 MAPT (0.39) MAPTCASP3HPGDLMNAMEN1
SCHEMBL2643166 0.81 MEN1 (0.53) MAPTHPGDLMNAMDM2MEN1
SCHEMBL2643846 0.81 MAPT (0.56) MAPTCASP3MDM2KCNA5KCNH2
SCHEMBL27725675 0.77 MAPT (0.50) MAPTCASP3HPGDMDM2KCNA5
SCHEMBL2643388 0.77 MAPT (0.55) MAPTLMNAMDM2KCNA5KCNH2
SCHEMBL2643782 0.77 KDM4E (0.52) MAPTCASP3MEN1KMT2ATSHR
SCHEMBL2643554 0.75 MAPT (0.38) MAPTCASP3HPGDLMNAMEN1
SCHEMBL2643582 0.75 MAPT (0.40) MAPTCASP3HPGDLMNAMEN1

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 4136/4885HPGD 918/4885

“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.