SCHEMBL26812465

SCHEMBL26812465

CCCc1c(Oc2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL29566407 1.00 HTR1A (0.38) HTR1AHTR7GAAALDH1A1LMNA
SCHEMBL26811501 0.93 HTR1A (0.39) HTR1AHTR7GAAALDH1A1LMNA
SCHEMBL24310809 0.92 HTR1A (0.40) HTR1AHTR7KDM4EHPGDTSHR
SCHEMBL29566471 0.92 HTR1A (0.40) HTR1AHTR7KDM4EHPGDTSHR
SCHEMBL29566967 0.88 HTR1A (0.35) HTR1AHTR7SLC8A1
SCHEMBL24310801 0.88 HTR1A (0.35) HTR1AHTR7SLC8A1
SCHEMBL29567082 0.88 HTR2C (0.39) HTR1AHTR7EGFR
SCHEMBL24309586 0.88 HTR2C (0.39) HTR1AHTR7EGFR
SCHEMBL24309861 0.88 HTR1A (0.40) HTR1AHTR7ALDH1A1LMNAKDM4E
SCHEMBL29567228 0.88 HTR1A (0.40) HTR1AHTR7ALDH1A1LMNAKDM4E

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 2 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

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 3833/4885GAA 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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