SCHEMBL22044072

SCHEMBL22044072

O=C(NC1CCCCC1)c1coc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
BACE1 P56817 1/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
PRKCB P05771 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL22044089 0.82 RAB9A (0.54) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL22044135 0.82 RAB9A (0.54) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL22044465 0.81 RAB9A (0.56) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL22044018 0.79 RAB9A (0.51) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL22044490 0.78 BACE1 (0.53) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL26414747 0.76 RAB9A (0.76) RAB9ANPC1BACE1KMT2ASMN1; SMN2
SCHEMBL22044020 0.74 ESR1 (0.54) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL25277670 0.69 IGF1R (0.54) RAB9A
SCHEMBL30441060 0.69 IGF1R (0.54) RAB9A
SCHEMBL24673320 0.67 NPC1 (0.73) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 RAB9A 51/4885NPC1 2933/4885BACE1 1311/4885

“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.