SCHEMBL26812864

SCHEMBL26812864

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL29567008 0.92 TDP1 (0.45) TDP1LMNAHTTSCN9AKDM4E
SCHEMBL24309354 0.92 TDP1 (0.45) TDP1LMNAHTTSCN9AKDM4E
SCHEMBL26812870 0.92 TDP1 (0.47) TDP1KMT2AMEN1LMNAHTT
SCHEMBL26812774 0.91 KDM1A (0.45) TDP1KMT2AMEN1LMNAHTT
SCHEMBL29566464 0.91 KDM1A (0.45) TDP1KMT2AMEN1LMNAHTT
SCHEMBL29567103 0.91 MAPT (0.47) TDP1KMT2AMEN1LMNAHTT
SCHEMBL29566577 0.91 TDP1 (0.47) TDP1LMNAHTTSCN9AKDM4E
SCHEMBL26812772 0.91 TDP1 (0.47) TDP1LMNAHTTSCN9AKDM4E
SCHEMBL26812759 0.91 MAPT (0.47) TDP1KMT2AMEN1LMNAHTT
SCHEMBL24310180 0.90 TDP1 (0.44) TDP1KMT2AMEN1LMNAHTT

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 4534/4885GPR119 612/4885KMT2A 4613/4885

“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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