SCHEMBL26806777

SCHEMBL26806777

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL26806775 0.94 BRD4 (0.42) TDP1POLBMAPTPIK3C2BPIK3C2G
SCHEMBL26812759 0.91 MAPT (0.47) TDP1LMNAHTTMAPTTSHR
SCHEMBL29567103 0.91 MAPT (0.47) TDP1LMNAHTTMAPTTSHR
SCHEMBL24309354 0.91 TDP1 (0.45) TDP1LMNAHTTMAPTTSHR
SCHEMBL29567008 0.91 TDP1 (0.45) TDP1LMNAHTTMAPTTSHR
SCHEMBL29566627 0.90 ALPL (0.42) TDP1LMNAHTTKAT6ATSHR
SCHEMBL24310082 0.90 ALPL (0.42) TDP1LMNAHTTKAT6ATSHR
SCHEMBL29567109 0.90 TDP1 (0.42) TDP1LMNAHTTMAPTKAT6A
SCHEMBL24310800 0.90 TDP1 (0.42) TDP1LMNAHTTMAPTKAT6A
SCHEMBL26806753 0.90 TSHR (0.41) LMNAPOLBHTTMAPTPIK3C2B

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 TDP1 4534/4885LMNA 4052/4885POLB 3593/4885

“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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