SCHEMBL2644952

SCHEMBL2644952

N#CCCC1c2cccc(Cl)c2C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
P2RX7 Q99572 1/20 0.36
HTT P42858 2/20 0.34
MITF O75030 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HCRTR2 O43614 3/20 0.34
GRM2 Q14416 2/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 2/20 0.32
MDM2 Q00987 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32

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
SCHEMBL2644233 0.82 MAPT (0.40) MAPTP2RX7HTTMDM2
SCHEMBL2643619 0.82 ALDH1A1 (0.42) MAPTP2RX7HTTNPSR1HCRTR2
SCHEMBL2644829 0.78 HCRTR2 (0.36) MAPTHTR2AHTR2CHTR2BHCRTR2
SCHEMBL2643578 0.75 KDM4E (0.42) NPSR1KMT2ALMNAHPGDL3MBTL1
SCHEMBL2643554 0.74 MAPT (0.38) MAPTHTR2CHTR2BHCRTR2ATM
SCHEMBL2644254 0.72 MEN1 (0.50) MAPTHTTNPSR1MDM2KMT2A
SCHEMBL2645157 0.71 MAPT (0.41) MAPTHTTLMNA
SCHEMBL2643454 0.70 ALDH1A1 (0.34) HTTNPSR1HCRTR2ATMKMT2A
SCHEMBL2643292 0.68 KDM4E (0.49) MAPTRAB9AKCNH2KMT2A
SCHEMBL2643920 0.68 HCRTR1 (0.36) MAPTHTTNPSR1HCRTR2ATM

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 5 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
CN-101316836-A Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 CN 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 3322/4885P2RX7 1442/4885HTT 3123/4885

“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.