SCHEMBL26810061

SCHEMBL26810061

COC1CCN(c2ccc(Oc3cc(-c4c(C)cccc4C)nc(NS(=O)(=O)c4cnn(C)c4)n3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ HTR1A P08908 5/20 0.33
▸ HTR7 P34969 5/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ BRD4 O60885 4/20 0.33
▸ TTK P33981 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PDE7A Q13946 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL26812335 0.91 JAK2 (0.36) SMN1; SMN2TSHRHTR1AHTR7MAP4K1
SCHEMBL26810055 0.90 ALDH1A1 (0.37) SMN1; SMN2TSHRMAP4K1BRD4MAPT
SCHEMBL29566685 0.90 ALDH1A1 (0.37) SMN1; SMN2TSHRMAP4K1BRD4MAPT
SCHEMBL29567227 0.90 MAP4K1 (0.43) HTR1AHTR7MAP4K1BRD4HTR6
SCHEMBL24310087 0.90 ALDH1A1 (0.37) SMN1; SMN2TSHRMAP4K1BRD4MAPT
SCHEMBL24310343 0.90 MAP4K1 (0.43) HTR1AHTR7MAP4K1BRD4HTR6
SCHEMBL26810024 0.89 PDE7B (0.37) SMN1; SMN2PIK3CAHTR1AHTR7MAP4K1
SCHEMBL26812314 0.89 KMT2A (0.40) SMN1; SMN2TSHRPIK3CAMAPTMET
SCHEMBL24310135 0.89 JAK2 (0.34) SMN1; SMN2HTR1AHTR7MAP4K1BRD4
SCHEMBL24310583 0.88 RIPK2 (0.38) MAP4K1BRD4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4847/4885TSHR 1755/4885PIK3CA 667/4885

“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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