SCHEMBL772478

SCHEMBL772478

COc1cc(O)ccc1C[NH]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
APP P05067 1/20 0.44
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
F2 P00734 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BACE1 P56817 1/20 0.40
TTR P02766 1/20 0.40
IDO1 P14902 1/20 0.40
APLNR P35414 1/20 0.39

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
SCHEMBL6297020 0.83 MAOB (0.59) MAOBAPPMAPTCYP3A4ESR1
Hydrochloric Acid SCHEMBL742117 0.82 MAOB (0.53) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL29415192 0.82 MAOB (0.57) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL8296534 0.82 MAOB (0.57) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL13318421 0.82 MAOB (0.57) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL288669 0.82 MAOB (0.57) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL23671876 0.80 MAOB (0.55) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL5216474 0.80 MAOB (0.55) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL772479 0.80 MAOB (0.55) MAOBAPPMAPTCYP3A4ESR1
SCHEMBL1780011 0.79 ALOX5 (0.51) MAOBAPPCYP3A4BACE1

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-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP MAOB 1936/4885APP 2953/4885MAPT 4552/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP MAOB 1846/4885APP 1530/4885MAPT 4262/4885

“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.