SCHEMBL5406539

SCHEMBL5406539

O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 6/20 0.62
MAPT P10636 3/20 0.62
FAAH O00519 1/20 0.61
RAD51 Q06609 1/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 3/20 0.59
ALOX12 P18054 2/20 0.59
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
GFER P55789 1/20 0.57

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
Phenyl 4-Chlorophenylcarbamate SCHEMBL6258165 0.94 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPTFAAHRAD51
SCHEMBL21295428 0.92 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL8065643 0.90 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPTRAD51LMNA
SCHEMBL9268642 0.89 ALDH1A1 (0.72) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL5416952 0.85 ALDH1A1 (0.59) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL29881729 0.85 ENPP3 (0.60) SMN1; SMN2HPGDALDH1A1MAPTRAD51
SCHEMBL8063648 0.85 ALDH1A1 (0.82) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL21234443 0.84 HPGD (0.69) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL8060143 0.84 MAPT (0.69) SMN1; SMN2HPGDALDH1A1MAPTFAAH
SCHEMBL21234442 0.84 ALDH1A1 (0.68) SMN1; SMN2HPGDALDH1A1MAPTFAAH

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 SMN1; SMN2 785/4885HPGD 2679/4885ALDH1A1 3023/4885

“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.