SCHEMBL26808972

SCHEMBL26808972

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2F)c1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ HTR6 P50406 7/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 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
SCHEMBL29566574 1.00 HTR1A (0.34) HTR1AHTR7HTR6MAPTKMT2A
SCHEMBL29566949 0.87 HTR1A (0.34) HTR1AHTR7HTR6MAPTKMT2A
SCHEMBL29567870 0.87 HTR1A (0.37) HTR1AHTR7HTR6DRD2BRD4
SCHEMBL24310731 0.87 HTR1A (0.37) HTR1AHTR7HTR6DRD2BRD4
SCHEMBL24310520 0.87 HTR1A (0.34) HTR1AHTR7HTR6MAPTKMT2A
SCHEMBL29567239 0.87 RAD52 (0.39) HTR1AHTR7HTR6MAPTALDH1A1
SCHEMBL24309717 0.87 RAD52 (0.39) HTR1AHTR7HTR6MAPTALDH1A1
SCHEMBL24310708 0.85 HTR1A (0.35) HTR1AHTR7HTR6MAPTKMT2A
SCHEMBL29566915 0.85 HTR1A (0.35) HTR1AHTR7HTR6MAPTKMT2A
SCHEMBL24310722 0.84 AXL (0.30) —

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 3833/4885HTR6 2653/4885

“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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