SCHEMBL5411982

SCHEMBL5411982

CCOC(=O)CNc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KDM4E B2RXH2 3/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 4/20 0.49
P2RX3 P56373 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL657243 0.92 KDM4E (0.64) POLBKDM4EHTTMAPTALDH1A1
Hydrochloric Acid SCHEMBL11536222 0.91 MAPT (0.65) POLBKDM4EHTTMAPTALDH1A1
SCHEMBL28102079 0.87 NPC1 (0.64) POLBKDM4EHTTMAPTALDH1A1
SCHEMBL11406427 0.83 POLB (0.59) POLBKDM4EHTTMAPTALDH1A1
SCHEMBL28468875 0.81 POLB (0.68) POLBHTTMAPTALDH1A1GAA
SCHEMBL3136136 0.81 POLB (0.68) POLBKDM4EHTTMAPTALDH1A1
SCHEMBL5400908 0.80 ALDH1A1 (0.57) KDM4EHTTMAPTALDH1A1L3MBTL1
SCHEMBL4035087 0.79 POLB (0.65) POLBKDM4EHTTMAPTALDH1A1
SCHEMBL6901569 0.79 POLB (0.65) POLBKDM4EHTTMAPTALDH1A1
Water SCHEMBL9248793 0.78 POLB (0.63) POLBKDM4EHTTMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 POLB 3769/4885KDM4E 3041/4885HTT 1038/4885

“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.