SCHEMBL3042102

SCHEMBL3042102

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(Cl)cc3Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ACHE P22303 1/20 0.34
BDKRB1 P46663 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NR1H2 P55055 6/20 0.32
ACLY P53396 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CXCR4 P61073 1/20 0.31
MCHR1 Q99705 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
AVPR1B P47901 1/20 0.31
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL3046630 0.94 IDO1 (0.35) LMNASMN1; SMN2NR1H2PTGS2KMT2A
SCHEMBL3039964 0.94 LMNA (0.34) LMNAACHENR1H2PTGS2CXCR4
SCHEMBL3054209 0.93 LMNA (0.39) LMNAACHESMN1; SMN2NR1H2PTGS2
SCHEMBL3047031 0.93 NR1H2 (0.39) BDKRB1NR1H2
SCHEMBL3044012 0.92 NR1H2 (0.37) LMNABDKRB1SMN1; SMN2NR1H2PTGS2
SCHEMBL3048077 0.91 NR1H2 (0.34) LMNASMN1; SMN2NR1H2CXCR4TBK1
SCHEMBL3047986 0.90 HTR6 (0.37) LMNABDKRB1NR1H2TBK1
SCHEMBL3049978 0.90 NR1H2 (0.39) LMNABDKRB1NR1H2
SCHEMBL3040219 0.90 NR1H2 (0.34) NR1H2
SCHEMBL3045807 0.90 TBK1 (0.33) NR1H2TBK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 LMNA 2965/4885ACHE 1850/4885BDKRB1 2607/4885

“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.