SCHEMBL26806749

SCHEMBL26806749

CC(C)c1ccccc1-c1cc(Oc2ccccc2Cl)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL26806753 0.90 TSHR (0.41) POLBKDM1AMAPTPIK3C2BPIK3C2G
SCHEMBL26806777 0.89 TDP1 (0.40) POLBMAPTPIK3C2BPIK3C2GKDM4E
SCHEMBL29567003 0.89 SMN1; SMN2 (0.36) POLBKDM1AMAPTPIK3C2BPIK3C2G
SCHEMBL24309272 0.89 SMN1; SMN2 (0.36) POLBKDM1AMAPTPIK3C2BPIK3C2G
SCHEMBL26806758 0.88 MEN1 (0.39) POLBKDM1AMAPTPIK3C2BPIK3C2G
SCHEMBL26806726 0.87 POLB (0.43) POLBMAPTPIK3C2BPIK3C2GTSHR
SCHEMBL26806731 0.87 SCN9A (0.41) —
SCHEMBL26806775 0.87 BRD4 (0.42) POLBMAPTPIK3C2BPIK3C2GHTR1A
SCHEMBL26806771 0.87 PGR (0.41) POLBKDM1AMAPTPIK3C2BPIK3C2G
SCHEMBL26806784 0.86 POLB (0.41) POLBMAPTPIK3C2BPIK3C2GKDM4E

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 POLB 3593/4885KDM1A 4709/4885MAPT 4864/4885

“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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