SCHEMBL26807431

SCHEMBL26807431

Cc1ccc(OCCC(C)C)cc1-c1cc(Oc2ccc(N3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ MET P08581 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYBB P04839 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL26807452 0.88 HTR1A (0.42) BRD4CDK4CCND1CCND2CCND3
SCHEMBL26807442 0.88 HTR1A (0.40) BRD4CDK4CCND1CCND2CCND3
SCHEMBL24309694 0.88 BRD4 (0.36) BRD4MCHR1CDK4CCND1CCND2
SCHEMBL29567093 0.88 BRD4 (0.36) BRD4MCHR1CDK4CCND1CCND2
SCHEMBL26807449 0.88 BRD4 (0.38) BRD4CDK4CCND1CCND2CCND3
SCHEMBL26807457 0.85 HTR1A (0.42) BRD4CDK4CCND1CCND2CCND3
SCHEMBL29566365 0.85 HTR1A (0.40) BRD4CDK4CCND1CCND2CCND3
SCHEMBL24309664 0.85 HTR1A (0.40) BRD4CDK4CCND1CCND2CCND3
SCHEMBL29566750 0.84 HTR2C (0.38) BRD4CDK4CCND1CCND2CCND3
SCHEMBL24310305 0.84 HTR2C (0.38) BRD4CDK4CCND1CCND2CCND3

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 BRD4 1716/4885MCHR1 3665/4885CDK4 4358/4885

“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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