SCHEMBL26814745

SCHEMBL26814745

Cc1cccc(C)c1-c1cc(Oc2ccc(NCCCN(C)C)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 2/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ CACNA1B Q00975 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL26814683 0.95 MKNK1 (0.38) BPTFCECR2BRD9MKNK1HDAC3
SCHEMBL26814696 0.92 MTOR (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26856978 0.90 CACNA1B (0.37) MKNK1CACNA1BPIK3CDPIK3CBMTOR
SCHEMBL26814517 0.90 SMN1; SMN2 (0.38) NMT1PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814554 0.89 ALDH1A1 (0.39) KDM4EMAPTPIK3CDPIK3CBMTOR
SCHEMBL26814715 0.88 MAP4K1 (0.33) NMT1PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26806466 0.88 HTR1A (0.34) NMT1PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814536 0.87 PIK3CD (0.36) PIK3CDPIK3CBMTORPIK3CGHTR7
SCHEMBL26856825 0.85 MKNK1 (0.38) MKNK1CACNA1BPIK3CDPIK3CBMTOR
SCHEMBL26814500 0.84 HTR1A (0.36) PIK3CDPIK3CBMTORPIK3CGHTR7

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 1 patent. 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

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 BPTF 922/4885CECR2 1932/4885BRD9 2385/4885

“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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