SCHEMBL2644069

SCHEMBL2644069

O=C(CCC1c2c(F)cccc2C(=O)N1Cc1ccc(F)cc1)Nc1cccc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL15925789 0.93 HDAC6 (0.35) DRD4ALDH1A1POLBHPGDMAPT
SCHEMBL2663945 0.92 MAPT (0.35) ALDH1A1HSD17B10POLBHPGDSMN1; SMN2
SCHEMBL2643774 0.80 KDM4E (0.47) ALDH1A1MAPTKDM4E
SCHEMBL2643618 0.79 MAPT (0.40) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL2644689 0.79 MAPT (0.43) ALDH1A1POLBHPGDMAPTLMNA
SCHEMBL2643374 0.78 NPC1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2644848 0.78 MAPT (0.37) ALDH1A1HSD17B10POLBMAPTSIGMAR1
SCHEMBL2644406 0.78 CDK5 (0.40) ALDH1A1MAPTKDM4E
SCHEMBL2644280 0.77 MAPT (0.42) ALDH1A1HPGDMAPTKDM4E
SCHEMBL2644875 0.77 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MAPTLMNA

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
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
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 DRD4 2467/4885ALDH1A1 1552/4885HSD17B10 717/4885

“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.