SCHEMBL26807606

SCHEMBL26807606

CNC(=O)c1ccc(Oc2cc(C3CCCCC3(C)C)nc(NS(=O)(=O)c3ccccc3)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.40
▸ PIK3CD O00329 5/20 0.38
▸ PIK3CA P42336 5/20 0.38
▸ PIK3CG P48736 5/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ PIK3CB P42338 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PI4KA P42356 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ ADAM17 P78536 3/20 0.35
▸ KDR P35968 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL26807618 0.89 HRH3 (0.39) HRH3HRH1KDR
SCHEMBL24310498 0.85 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2ADAM17KDM4E
SCHEMBL29566504 0.85 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2ADAM17KDM4E
SCHEMBL26810541 0.79 HRH3 (0.39) HRH3HRH1KDR
SCHEMBL26807616 0.79 HRH3 (0.36) HRH3HRH1KDR
SCHEMBL26807604 0.78 TSHR (0.43) TDP1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL26807615 0.77 F2 (0.37) HRH3SMN1; SMN2KDR
SCHEMBL26807608 0.77 HTR6 (0.45) TSHRSMN1; SMN2
SCHEMBL26807481 0.77 HTR1A (0.39) ALDH1A1TSHRSMN1; SMN2KDR
SCHEMBL26807622 0.77 HRH3 (0.43) HRH3HRH1

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 HRH3 4413/4885PIK3CD 368/4885PIK3CA 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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