SCHEMBL4248077

SCHEMBL4248077

COc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 10/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
TP53 P04637 6/20 1.00
ALDH1A1 P00352 4/20 1.00
KMT2A Q03164 3/20 1.00
CYP1A2 P05177 2/20 1.00
MEN1 O00255 2/20 1.00
GAA P10253 2/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
HTT P42858 1/20 0.78
ALOX15 P16050 1/20 0.77
PKM P14618 1/20 0.73
PLAU P00749 2/20 0.68
KCNK9 Q9NPC2 1/20 0.67
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65

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
SCHEMBL31680508 0.96 NPC1 (0.93) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5426350 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1918108 0.90 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL29420092 0.90 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12218147 0.88 RAB9A (0.79) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5427878 0.88 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28187512 0.88 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6799157 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL7296804 0.87 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL16675159 0.86 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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 NPC1 869/4885RAB9A 733/4885SMN1; SMN2 155/4885

“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.