SCHEMBL25820778

SCHEMBL25820778

Cc1cc(Nc2cccc(C(=O)N3CCc4c(Oc5ccccc5)cccc43)c2)c2cc(F)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.46
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.41
DHODH Q02127 2/20 0.41
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
UCHL1 P09936 1/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 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
SCHEMBL25488284 0.94 ALDH1A1 (0.46) ALDH1A1NPC1HTTTSHRGAA
SCHEMBL25820779 0.88 DNMT1 (0.42) ALDH1A1HTTGAADHODHLMNA
SCHEMBL25488283 0.82 GAK (0.40) ALDH1A1HTTGAABRAF
SCHEMBL25820818 0.81 UCHL1 (0.42) ALDH1A1TSHRUCHL1
SCHEMBL25820804 0.78 UCHL1 (0.45) ALDH1A1HTTTSHRGAAUCHL1
SCHEMBL25820769 0.77 DNMT1 (0.46) ALDH1A1HTTGAA
SCHEMBL24010364 0.75 HTR2C (0.39) ALDH1A1TSHRUCHL1
SCHEMBL25827157 0.74 HTR2C (0.40) HTTTSHRGAAUCHL1
SCHEMBL25820817 0.74 UCHL1 (0.41) ALDH1A1TSHRUCHL1
SCHEMBL30290923 0.73 DNMT1 (0.43) ALDH1A1HTTGAAKDM4E

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 ALDH1A1 3871/4885NPC1 901/4885HTT 3124/4885

“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.