SCHEMBL24310048

SCHEMBL24310048

CCOc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2Cl)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ EGFR P00533 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ TNK2 Q07912 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL29566746 1.00 HTR1A (0.38) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL26811591 0.93 HTR6 (0.38) HTR1AHTR7EGFRDRD2DRD1
SCHEMBL29566861 0.93 HTR1A (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL26811393 0.93 HTR1A (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL29567132 0.92 HTR1A (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL24310080 0.92 HTR1A (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL29567289 0.92 PAK1 (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL24309950 0.92 PAK1 (0.36) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL24309480 0.91 DRD2 (0.39) HTR1AHTR7EGFRALDH1A1DRD2
SCHEMBL26811416 0.91 EGFR (0.38) HTR1AHTR7EGFRDRD2MAPT

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 HTR1A 4018/4885HTR7 3833/4885EGFR 818/4885

“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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