SCHEMBL26812289

SCHEMBL26812289

Cc1cccc(C)c1-c1cc(Oc2ccc(C3CN(C)C3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR1A P08908 6/20 0.34
▸ HTR7 P34969 6/20 0.34
▸ SLC8A1 P32418 1/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ SLC6A9 P48067 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL24310170 0.92 BRD4 (0.38) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL29566994 0.91 TSHR (0.34) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL24310197 0.91 TSHR (0.34) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL24310069 0.89 NMT1 (0.36) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL24309584 0.89 SLC8A1 (0.33) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL29566759 0.89 SLC8A1 (0.33) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL26810230 0.88 KDM1A (0.38) TSHRSMN1; SMN2HTR1AHTR7SLC8A1
SCHEMBL26810208 0.88 KDM4E (0.34) HTR1AHTR7SLC8A1PIK3CDPIK3CB
SCHEMBL26810238 0.88 SMN1; SMN2 (0.38) TSHRSMN1; SMN2HTR1AHTR7BRD4
SCHEMBL29566612 0.88 TSHR (0.43) TSHRSMN1; SMN2HTR1AHTR7SLC8A1

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 5 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
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 TSHR 1755/4885SMN1; SMN2 4847/4885HTR1A 4018/4885

“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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