SCHEMBL26808238

SCHEMBL26808238

Cc1cccc(C)c1-c1cc(Oc2cc(Cl)c(N3CCN(C)CC3)c(Cl)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.36
▸ RAD52 P43351 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ HTR6 P50406 3/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SRC P12931 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 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
SCHEMBL24310534 0.97 DGAT2 (0.35) DGAT2RAD52BRD4FGFR1MAP4K1
SCHEMBL24309675 0.93 MAP4K1 (0.37) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL24309786 0.91 DGAT2 (0.40) DGAT2BRD4MAP4K1HTR6ALDH1A1
SCHEMBL24309946 0.91 MAP4K1 (0.38) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL26809817 0.91 HTR1D (0.37) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL29566991 0.91 HTR1D (0.37) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL29567227 0.88 MAP4K1 (0.43) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL24310343 0.88 MAP4K1 (0.43) DGAT2RAD52BRD4MAP4K1HTR6
SCHEMBL24310014 0.88 HTR1A (0.42) RAD52BRD4MAP4K1HTR6HTR1A
SCHEMBL29566254 0.88 TSHR (0.35) BRD4FGFR1HTR1AHTR7TSHR

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 4 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 DGAT2 688/4885RAD52 4705/4885BRD4 1716/4885

“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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