SCHEMBL24309628

SCHEMBL24309628

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(C3=CCCCC3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ HTR7 P34969 4/20 0.37
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR39 O43194 1/20 0.36
▸ BRD1 O95696 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ SLC8A1 P32418 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL29566535 1.00 TDP1 (0.37) TDP1HTR1AHTR7TSHRSMN1; SMN2
SCHEMBL26807497 0.97 HTR1A (0.38) TDP1HTR1AHTR7TSHRSMN1; SMN2
SCHEMBL26811043 0.88 TSHR (0.45) TDP1TSHRSMN1; SMN2GPR39ATR
SCHEMBL26807492 0.86 HTR1A (0.36) HTR1AHTR7TSHRSMN1; SMN2GPR39
SCHEMBL24309685 0.85 MAPT (0.47) TDP1HTR1AHTR7TSHRSMN1; SMN2
SCHEMBL29566709 0.84 HTR1A (0.35) HTR1AHTR7TSHRSMN1; SMN2GPR39
SCHEMBL24309305 0.84 HTR1A (0.35) HTR1AHTR7TSHRSMN1; SMN2GPR39
SCHEMBL26807498 0.84 HTR1A (0.40) HTR1AHTR7TSHRSMN1; SMN2GPR39
SCHEMBL26807495 0.83 HTR1A (0.38) HTR1AHTR7TSHRSMN1; SMN2GPR39
SCHEMBL24310345 0.81 TSHR (0.43) HTR1AHTR7TSHRSMN1; SMN2GPR39

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 TDP1 4534/4885HTR1A 4018/4885HTR7 3833/4885

“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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