SCHEMBL4247068

SCHEMBL4247068

O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
CYP1A2 P05177 2/20 0.62
LMNA P02545 2/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
KCNQ3 O43525 1/20 0.62
KCNQ2 O43526 1/20 0.62
STAT3 P40763 1/20 0.60
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.53
DGAT1 O75907 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
MCL1 Q07820 1/20 0.52
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL8769978 0.83 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4247530 0.82 MAPT (0.69) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4257469 0.82 KCNQ3 (0.65) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4737529 0.81 KCNQ3 (0.73) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4251030 0.81 MAPT (0.86) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4247738 0.81 MAPT (0.86) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL402859 0.81 MAPT (0.64) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL2169030 0.81 MAPT (0.78) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4250152 0.81 MAPT (0.73) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL2302891 0.81 MAPT (0.66) MAPTSMN1; SMN2CYP1A2LMNACYP2C19

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MAPT 759/4885SMN1; SMN2 155/4885CYP1A2 196/4885

“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.