SCHEMBL3632196

SCHEMBL3632196

COc1cccc(-c2coc(Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
NOTUM Q6P988 1/20 0.48
ALDH1A3 P47895 2/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3319499 0.83 ENPP3 (0.64) NOTUMMAPTTP53DYRK1ACLK4
SCHEMBL28487834 0.80 ENPP3 (0.65) MAPTGAADYRK1ARAB9ASMN1; SMN2
SCHEMBL1177949 0.79 ENPP3 (0.74) NOTUMTP53RAB9ASMN1; SMN2TDP1
SCHEMBL9954530 0.79 ENPP3 (0.59) ATP4AATP4BRAB9ASMN1; SMN2TDP1
SCHEMBL9955528 0.78 CYP19A1 (0.46) CYP19A1NOTUMTP53GAAATP4A
SCHEMBL18282161 0.78 CYP19A1 (0.66) CYP19A1MAPTTP53ATP4AATP4B
SCHEMBL3630297 0.76 DYRK1A (0.58) CYP19A1MAPTTP53GAADYRK1A
SCHEMBL29470234 0.76 DYRK1A (0.58) CYP19A1MAPTTP53GAADYRK1A
SCHEMBL2810314 0.76 DYRK1A (0.50) CYP19A1ALDH1A3MAPTTP53GAA
SCHEMBL9954331 0.76 KDM4E (0.50) NOTUMMAPTTP53ALDH1A1KDM4E

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
EP-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 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-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES SSTR5, NPY5R, SSTR3 CYP19A1 460/4885NOTUM 4071/4885ALDH1A3 1353/4885

“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.