SCHEMBL12368241

SCHEMBL12368241

CCCCc1nc(N)nc(N)c1-c1ccc(OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.74
▸ HEXB P07686 4/20 0.74
▸ DHFR P00374 9/20 0.63
▸ HRH2 P25021 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ GHSR Q92847 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HTR2B P41595 1/20 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
SCHEMBL12368252 0.92 HEXA (0.78) HEXAHEXBDHFRHRH2HRH3
SCHEMBL12368248 0.85 HEXA (1.00) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368249 0.84 HEXA (0.72) HEXAHEXBDHFRGHSRMEN1
SCHEMBL12368242 0.83 HEXA (0.83) HEXAHEXBDHFRGHSRMEN1
SCHEMBL12368250 0.80 HEXA (0.75) HEXAHEXBDHFRGHSRMEN1
SCHEMBL11593834 0.79 HEXA (0.81) HEXAHEXBDHFRGHSRMEN1
SCHEMBL4838823 0.77 DHFR (1.00) HEXAHEXBDHFRGHSR
SCHEMBL12495753 0.77 HRH3 (0.63) HEXAHEXBHRH2HRH3ALDH1A1
SCHEMBL6348834 0.76 HEXA (0.77) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12368245 0.75 HEXA (0.77) HEXAHEXBDHFRMEN1SLC22A1

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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — 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 (2 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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885

“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.

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