SCHEMBL2663945

SCHEMBL2663945

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL2644069 0.92 DRD4 (0.35) MAPTSIGMAR1ALDH1A1HSD17B10POLB
SCHEMBL15925789 0.85 HDAC6 (0.35) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL2643774 0.81 KDM4E (0.47) MAPTALDH1A1KDM4E
SCHEMBL2643618 0.80 MAPT (0.40) MAPTALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL2644689 0.80 MAPT (0.43) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL2643374 0.79 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2644848 0.79 MAPT (0.37) MAPTSIGMAR1ALDH1A1HSD17B10POLB
SCHEMBL2644406 0.78 CDK5 (0.40) MAPTALDH1A1KDM4E
SCHEMBL2644280 0.78 MAPT (0.42) MAPTALDH1A1HPGDKDM4E
SCHEMBL2644875 0.78 SMN1; SMN2 (0.47) MAPTALDH1A1POLBSMN1; SMN2KDM4E

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
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
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 3322/4885SIGMAR1 4242/4885ALDH1A1 1552/4885

“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.