SCHEMBL24309792

SCHEMBL24309792

Cc1cccc(Cl)c1Oc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.37
▸ LMNA P02545 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CCR4 P51679 4/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ERN1 O75460 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31

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
SCHEMBL29566540 1.00 BRD4 (0.37) BRD4LMNAGAAKDM4ECYP1A2
SCHEMBL26808358 0.87 CRHR1 (0.35) ERN1SLC22A12MAPK10
SCHEMBL26808359 0.87 GPR39 (0.35) BRD4LMNAGAAKDM4ECYP1A2
SCHEMBL26808363 0.86 ALDH1A1 (0.35) KDM4ECCR4POLBHTT
SCHEMBL29566765 0.85 HTR1A (0.39) BRD4LMNAKDM4ECYP1A2CYP2C19
SCHEMBL24309778 0.85 HTR1A (0.39) BRD4LMNAKDM4ECYP1A2CYP2C19
SCHEMBL24309795 0.83 BRD4 (0.34) BRD4LMNAKDM4ECYP1A2CYP2C19
SCHEMBL24309272 0.81 SMN1; SMN2 (0.36) BRD4LMNAGAAKDM4ECYP1A2
SCHEMBL29567003 0.81 SMN1; SMN2 (0.36) BRD4LMNAGAAKDM4ECYP1A2
SCHEMBL26808361 0.81 LTB4R (0.31) LPAR1

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 3 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
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 BRD4 1716/4885LMNA 4052/4885GAA 904/4885

“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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