SCHEMBL24309722

SCHEMBL24309722

Cc1ccccc1Oc1cc(C2(c3ccccc3)CC2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ PDPK1 O15530 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL29566520 1.00 HTR1A (0.38) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL26807641 0.89 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1THRBGAA
SCHEMBL24309466 0.86 HTR1A (0.38) HTR1AHTR7TSHRSMN1; SMN2THRB
SCHEMBL26810510 0.86 HTR1A (0.36) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL24309463 0.84 PDPK1 (0.41) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL29566879 0.84 PDPK1 (0.41) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL24309462 0.82 PDPK1 (0.40) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL29567139 0.82 PDPK1 (0.40) HTR1AHTR7TSHRSMN1; SMN2ALDH1A1
SCHEMBL29567022 0.81 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2THRB
SCHEMBL24309574 0.81 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2THRB

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 3833/4885TSHR 1755/4885

“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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