SCHEMBL2643836

SCHEMBL2643836

O=C(CCC1c2cccc(Cl)c2C(=O)N1Cc1ccc(F)cc1)Nc1ccc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL2643578 0.87 KDM4E (0.42) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2643847 0.84 MEN1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2643302 0.81 MAPT (0.38) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL2644233 0.79 MAPT (0.40) MAPT
SCHEMBL15925794 0.78 KMT2A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2643618 0.77 MAPT (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2644875 0.77 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2643519 0.76 KDM4E (0.42) ALDH1A1MEN1KMT2AHDAC6HDAC3
SCHEMBL2643810 0.76 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL2644231 0.76 KDM4E (0.46) ALDH1A1MEN1KMT2ATSHRMAPT

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 7 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-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
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
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 RAB9A 3226/4885NPC1 2933/4885SMN1; SMN2 4510/4885

“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.