SCHEMBL25820804

SCHEMBL25820804

O=C(c1cccc(Nc2ccncc2)c1)N1CCc2c(Oc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.45
GPBAR1 Q8TDU6 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
STAT3 P40763 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL25827157 0.96 HTR2C (0.40) UCHL1GPBAR1TSHRSMN1; SMN2MEN1
SCHEMBL25820818 0.89 UCHL1 (0.42) UCHL1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL24010364 0.88 HTR2C (0.39) UCHL1GPBAR1TSHRSMN1; SMN2MEN1
SCHEMBL25820801 0.88 UCHL1 (0.43) UCHL1GPBAR1TSHRSMN1; SMN2MAPT
SCHEMBL25820810 0.83 FAAH (0.43) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25827158 0.83 UCHL1 (0.38) UCHL1SMN1; SMN2PDCD1CD274HTR2A
SCHEMBL25820779 0.81 DNMT1 (0.42) UCHL1MEN1KMT2AGAAHTT
SCHEMBL25488283 0.80 GAK (0.40) GAAHTTALDH1A1
SCHEMBL25488284 0.80 ALDH1A1 (0.46) TSHRMAPTKMT2AGAAHTT
SCHEMBL25820817 0.80 UCHL1 (0.41) UCHL1TSHRSMN1; SMN2MAPTMEN1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA UCHL1 4725/4885GPBAR1 828/4885TSHR 2696/4885

“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.