SCHEMBL4251987

SCHEMBL4251987

O=C(Nc1ccccc1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.85
NPC1 O15118 12/20 0.85
MAPT P10636 11/20 0.85
SMN1; SMN2 Q16637 10/20 0.85
TP53 P04637 6/20 0.85
PKM P14618 1/20 0.85
NFKB1 P19838 1/20 0.85
NFKB2 Q00653 1/20 0.85
RELA Q04206 1/20 0.85
KMT2A Q03164 6/20 0.73
MCL1 Q07820 4/20 0.73
USP2 O75604 3/20 0.73
MEN1 O00255 2/20 0.73
LMNA P02545 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ALOX15 P16050 4/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 1/20 0.71
POLB P06746 1/20 0.70

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
SCHEMBL2354022 0.92 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL2733121 0.90 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4252909 0.88 HDAC8 (0.76) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8770201 0.87 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8769840 0.87 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5084566 0.86 USP2 (0.66) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL8769429 0.86 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL30828596 0.86 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL28090799 0.85 RAB9A (0.83) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL31054280 0.83 MAPT (0.69) RAB9ANPC1MAPTSMN1; SMN2TP53

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-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
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 RAB9A 733/4885NPC1 869/4885MAPT 759/4885

“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.