SCHEMBL3048077

SCHEMBL3048077

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.34
LMNA P02545 1/20 0.33
CXCR4 P61073 1/20 0.32
RAPGEF3 O95398 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
NR1H3 Q13133 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3044012 0.95 NR1H2 (0.37) NR1H2LMNACXCR4SMN1; SMN2
SCHEMBL3049978 0.95 NR1H2 (0.39) NR1H2LMNANR1H3
SCHEMBL3043784 0.93 BDKRB1 (0.34) NR1H2TBK1SMN1; SMN2
SCHEMBL3039560 0.92 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3040294 0.92 SOS1 (0.34) NR1H2LMNATBK1NR1H3
SCHEMBL3040282 0.92 NR1H2 (0.33) NR1H2LMNATBK1
SCHEMBL3042182 0.92 NR1H2 (0.40) NR1H2NR1H3SMN1; SMN2
SCHEMBL3034029 0.92 NR1H2 (0.36) NR1H2
SCHEMBL3042102 0.91 LMNA (0.34) NR1H2LMNACXCR4TBK1SMN1; SMN2
SCHEMBL3040414 0.91 NR1H2 (0.34) NR1H2NR1H3

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 NR1H2 21/4885LMNA 2965/4885CXCR4 230/4885

“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.