SCHEMBL4253031

SCHEMBL4253031

O=C(Nc1ccccc1)c1ccc(-n2cccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
PTPN1 P18031 2/20 0.54
HDAC4 P56524 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
NAMPT P43490 1/20 0.51
MEN1 O00255 2/20 0.50

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
N-Phenylbenzamide SCHEMBL27770845 0.94 HTT (0.55) RAB9AHTTALDH1A1PTPN1HDAC4
SCHEMBL3377974 0.94 RAB9A (0.55) RAB9AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL8769758 0.90 ALDH1A1 (0.55) RAB9AHTTALDH1A1MAPTKDM4E
SCHEMBL8770154 0.90 MEN1 (0.55) RAB9AHTTALDH1A1MAPTKDM4E
SCHEMBL13701946 0.87 GAA (0.63) HTTALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3871686 0.85 GCGR (0.59) RAB9AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL21254779 0.82 ALDH1A1 (0.48) RAB9AHTTALDH1A1MAPTKDM4E
SCHEMBL4250109 0.81 KDM4E (0.73) RAB9AALDH1A1SMN1; SMN2HPGDKDM4E
Acetanilide SCHEMBL27770851 0.81 HSD17B10 (0.58) RAB9AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL25433611 0.80 DHX9 (0.58) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E

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 733/4885HTT 851/4885ALDH1A1 204/4885

“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.